sodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide

C18H24N3NaO3S — CID 156840068

IUPACsodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
SMILESCN(C)C/C=C/S(=O)(=O)[N-]C(=O)Nc1c2c(cc3c1CCC3)CCC2.[Na+]
InChIInChI=1S/C18H25N3O3S.Na/c1-21(2)10-5-11-25(23,24)20-18(22)19-17-15-8-3-6-13(15)12-14-7-4-9-16(14)17;/h5,11-12H,3-4,6-10H2,1-2H3,(H2,19,20,22);/q;+1/p-1/b11-5+;
InChIKeyXICPGJMHOMZUDC-HMXKFKBXSA-M
MW385.47 g/mol
LogP-0.02
Rot. Bonds5

About sodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide

sodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide (PubChem CID 156840068) has the molecular formula C18H24N3NaO3S and a molecular weight of 385.47 g/mol. Its IUPAC name is sodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide.

Molecular Properties

Compound Namesodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
PubChem CID156840068
Molecular FormulaC18H24N3NaO3S
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC Namesodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide
SMILESCN(C)C/C=C/S(=O)(=O)[N-]C(=O)Nc1c2c(cc3c1CCC3)CCC2.[Na+]
InChIInChI=1S/C18H25N3O3S.Na/c1-21(2)10-5-11-25(23,24)20-18(22)19-17-15-8-3-6-13(15)12-14-7-4-9-16(14)17;/h5,11-12H,3-4,6-10H2,1-2H3,(H2,19,20,22);/q;+1/p-1/b11-5+;
InChIKeyXICPGJMHOMZUDC-HMXKFKBXSA-M
XLogP-0.02
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze sodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-3-[methyl(methylsulfonyl)amino]prop-1-enyl]sulfonylurea
CID 156840081
sodium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[(3-methoxyphenyl)methylsulfonyl]azanide
CID 155660731
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-3-methylpent-1-enyl]sulfonylurea
CID 155007218
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-3-oxopropanoic acid
CID 162650421
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-pentan-3-ylazetidin-3-yl)sulfonylazanide
CID 155658501
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(2-methylpropyl)azetidin-3-yl]sulfonylazanide
CID 155658526
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-(1-propan-2-ylazetidin-3-yl)sulfonylazanide
CID 155658508
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[2-(2-methylazetidin-1-yl)ethylsulfonyl]azanide
CID 155660721
CID 175947030
CID 175947030
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(1,1,2,2,2-pentadeuterioethyl)piperidin-4-yl]sulfonylazanide
CID 155658509
potassium 1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[1-(4-hydroxybutyl)azetidin-3-yl]sulfonylazanide
CID 155658635
1-[2-(dipropylamino)ethylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155224273

Frequently Asked Questions

What is the IUPAC name of sodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide?
The IUPAC name of sodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide (CID 156840068) is sodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide.
What is the SMILES notation for sodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide?
The canonical SMILES for sodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide is CN(C)C/C=C/S(=O)(=O)[N-]C(=O)Nc1c2c(cc3c1CCC3)CCC2.[Na+].
What is the InChIKey of sodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide?
The InChIKey is XICPGJMHOMZUDC-HMXKFKBXSA-M. The full InChI is InChI=1S/C18H25N3O3S.Na/c1-21(2)10-5-11-25(23,24)20-18(22)19-17-15-8-3-6-13(15)12-14-7-4-9-16(14)17;/h5,11-12H,3-4,6-10H2,1-2H3,(H2,19,20,22);/q;+1/p-1/b11-5+;.
What are the key properties of sodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide?
sodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide has a molecular weight of 385.47 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [(E)-3-(dimethylamino)prop-1-enyl]sulfonyl-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)azanide is sourced from PubChem (CID 156840068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).