3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide

C13H27N3O2S — CID 106083082

IUPAC3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C13H27N3O2S/c1-11-10-16(2)8-6-13(11)15-19(17,18)9-3-7-14-12-4-5-12/h11-15H,3-10H2,1-2H3
InChIKeyTYBMKAIZHOPYNP-UHFFFAOYSA-N
MW289.45 g/mol
LogP0.39
Rot. Bonds7

About 3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide

3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide (PubChem CID 106083082) has the molecular formula C13H27N3O2S and a molecular weight of 289.45 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
PubChem CID106083082
Molecular FormulaC13H27N3O2S
Molecular Weight289.45 g/mol
Exact Mass289.18
IUPAC Name3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C13H27N3O2S/c1-11-10-16(2)8-6-13(11)15-19(17,18)9-3-7-14-12-4-5-12/h11-15H,3-10H2,1-2H3
InChIKeyTYBMKAIZHOPYNP-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 50.39
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

3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
CID 114503363
4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide
CID 106064397
2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid
CID 114503113
3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide
CID 106075545
4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide
CID 106060306
N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine
CID 103902206
4-[(1,3-dimethylpiperidin-4-yl)amino]butanoic acid
CID 114503544
N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 79184231
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
CID 106059860
2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
CID 115707421
3-(methylamino)-N-(2-methylcyclopentyl)propane-1-sulfonamide
CID 106064308

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide (CID 106083082) is 3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide is CC1CN(C)CCC1NS(=O)(=O)CCCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide?
The InChIKey is TYBMKAIZHOPYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-11-10-16(2)8-6-13(11)15-19(17,18)9-3-7-14-12-4-5-12/h11-15H,3-10H2,1-2H3.
What are the key properties of 3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide?
3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide has a molecular weight of 289.45 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 106083082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).