1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane

C13H29N3O2S2 — CID 106092201

IUPAC1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane
SMILESCCCNCCCN(C)S(=O)(=O)NC1CCC(SC)C1
InChIInChI=1S/C13H29N3O2S2/c1-4-8-14-9-5-10-16(2)20(17,18)15-12-6-7-13(11-12)19-3/h12-15H,4-11H2,1-3H3
InChIKeyWCYKDYSVCHLDEW-UHFFFAOYSA-N
MW323.53 g/mol
LogP1.43
Rot. Bonds10

About 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane

1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane (PubChem CID 106092201) has the molecular formula C13H29N3O2S2 and a molecular weight of 323.53 g/mol. Its IUPAC name is 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane.

Molecular Properties

Compound Name1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane
PubChem CID106092201
Molecular FormulaC13H29N3O2S2
Molecular Weight323.53 g/mol
Exact Mass323.17
IUPAC Name1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane
SMILESCCCNCCCN(C)S(=O)(=O)NC1CCC(SC)C1
InChIInChI=1S/C13H29N3O2S2/c1-4-8-14-9-5-10-16(2)20(17,18)15-12-6-7-13(11-12)19-3/h12-15H,4-11H2,1-3H3
InChIKeyWCYKDYSVCHLDEW-UHFFFAOYSA-N
XLogP1.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclohexane
CID 106091345
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824
3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid
CID 114122704
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane
CID 114142578
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane
CID 106084813
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 106091151
4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane
CID 106084544
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane
CID 114112535
N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106092174

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane?
The IUPAC name of 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane (CID 106092201) is 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane.
What is the SMILES notation for 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane?
The canonical SMILES for 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane is CCCNCCCN(C)S(=O)(=O)NC1CCC(SC)C1.
What is the InChIKey of 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane?
The InChIKey is WCYKDYSVCHLDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S2/c1-4-8-14-9-5-10-16(2)20(17,18)15-12-6-7-13(11-12)19-3/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane?
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane has a molecular weight of 323.53 g/mol, XLogP of 1.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane is sourced from PubChem (CID 106092201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).