N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide

C13H28N2O2S — CID 106069157

IUPACN-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NC1CCC(C)C1C
InChIInChI=1S/C13H28N2O2S/c1-5-8-14-9-11(3)18(16,17)15-13-7-6-10(2)12(13)4/h10-15H,5-9H2,1-4H3
InChIKeyRYJWYWWVGCTCBX-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.73
Rot. Bonds7

About N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide

N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide (PubChem CID 106069157) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide
PubChem CID106069157
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NC1CCC(C)C1C
InChIInChI=1S/C13H28N2O2S/c1-5-8-14-9-11(3)18(16,17)15-13-7-6-10(2)12(13)4/h10-15H,5-9H2,1-4H3
InChIKeyRYJWYWWVGCTCBX-UHFFFAOYSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide
CID 106067403
N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide
CID 106060304
N-(2,3-dimethylcyclopentyl)propane-1-sulfonamide
CID 64923274
1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
CID 106077363
2-cyclopentylsulfonyl-N-propylpropan-1-amine
CID 106512803
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106082678
2-cyclohexylsulfonyl-N-propylpropan-1-amine
CID 106512987
1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide
CID 106084518
N-[(1-methylpyrrolidin-2-yl)methyl]-1-(propylamino)propane-2-sulfonamide
CID 106094880
N-(3,3-dimethylbutyl)-1-(propylamino)propane-2-sulfonamide
CID 114142376
2,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)cyclopentan-1-amine
CID 106723838
N-(2-methylcyclohexyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114132164

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide (CID 106069157) is N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide is CCCNCC(C)S(=O)(=O)NC1CCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide?
The InChIKey is RYJWYWWVGCTCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-8-14-9-11(3)18(16,17)15-13-7-6-10(2)12(13)4/h10-15H,5-9H2,1-4H3.
What are the key properties of N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide?
N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide is sourced from PubChem (CID 106069157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).