N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide

C15H25N3O4S — CID 110280182

IUPACN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H25N3O4S/c1-5-9-17(10-6-2)15(20)12(3)16-14(19)13-8-7-11-18(13)23(4,21)22/h5-6,12-13H,1-2,7-11H2,3-4H3,(H,16,19)
InChIKeyHVHORIUBPKGVHJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.12
Rot. Bonds8

About N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide

N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 110280182) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID110280182
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC NameN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H25N3O4S/c1-5-9-17(10-6-2)15(20)12(3)16-14(19)13-8-7-11-18(13)23(4,21)22/h5-6,12-13H,1-2,7-11H2,3-4H3,(H,16,19)
InChIKeyHVHORIUBPKGVHJ-UHFFFAOYSA-N
XLogP0.12
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-acetyl-N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]pyrrolidine-2-carboxamide
CID 53500657
N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)methanesulfonamide
CID 17960593
N-butyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47136425
(2S)-1-methyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 54539887
1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 59540117
N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]methanesulfonamide
CID 69540449
1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 69628928
(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-N-prop-2-enylsulfonylpyrrolidine-2-carboxamide
CID 88722721
1-[(2S)-2-methyl-3-sulfanylpropanoyl]-N-prop-2-enylsulfonylpyrrolidine-2-carboxamide
CID 88722723
1-(2-methyl-3-sulfanylpropanoyl)-N-prop-2-enylsulfonylpyrrolidine-2-carboxamide
CID 88722966
(2R)-1-(2-formamidoacetyl)-N-[(E)-3-methylsulfonylprop-2-enyl]pyrrolidine-2-carboxamide
CID 89096770
N-[3-(methanesulfonamido)propyl]pyrrolidine-2-carboxamide
CID 91417034

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 110280182) is N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide is C=CCN(CC=C)C(=O)C(C)NC(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is HVHORIUBPKGVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-5-9-17(10-6-2)15(20)12(3)16-14(19)13-8-7-11-18(13)23(4,21)22/h5-6,12-13H,1-2,7-11H2,3-4H3,(H,16,19).
What are the key properties of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 0.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110280182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).