N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide

C11H22N2O2S — CID 105361362

IUPACN-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCCCNC1CC1)C1CCCC1
InChIInChI=1S/C11H22N2O2S/c14-16(15,11-4-1-2-5-11)13-9-3-8-12-10-6-7-10/h10-13H,1-9H2
InChIKeyATNRCRGCVXXAOS-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.99
Rot. Bonds7

About N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide

N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide (PubChem CID 105361362) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide
PubChem CID105361362
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide
SMILESO=S(=O)(NCCCNC1CC1)C1CCCC1
InChIInChI=1S/C11H22N2O2S/c14-16(15,11-4-1-2-5-11)13-9-3-8-12-10-6-7-10/h10-13H,1-9H2
InChIKeyATNRCRGCVXXAOS-UHFFFAOYSA-N
XLogP0.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.99
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-aminopropyl)cyclopentanesulfonamide
CID 115752131
N-(4-aminobutyl)cyclopentanesulfonamide
CID 105360505
N-(4-hydroxybutyl)cyclohexanesulfonamide
CID 106843941
N-(6-aminohexyl)cyclohexanesulfonamide
CID 114008140
N-(6-bromohexyl)cyclohexanesulfonamide
CID 107848725
N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine
CID 114810384
N-(3-cyclohexylsulfonylpropyl)cyclohexanamine
CID 106513012
N-[3-(2-bromoethoxy)propyl]cyclohexanesulfonamide
CID 106304856
N-(5-chloro-4-methylpentyl)cyclopentanesulfonamide
CID 106158932
N-[5-(cyclohexylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939919
N-(3-aminobutyl)cyclopentanesulfonamide
CID 115752301
N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide
CID 63869838

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide (CID 105361362) is N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide is O=S(=O)(NCCCNC1CC1)C1CCCC1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide?
The InChIKey is ATNRCRGCVXXAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c14-16(15,11-4-1-2-5-11)13-9-3-8-12-10-6-7-10/h10-13H,1-9H2.
What are the key properties of N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide?
N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide has a molecular weight of 246.38 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]cyclopentanesulfonamide is sourced from PubChem (CID 105361362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).