N-[2-(propylamino)ethyl]butane-1-sulfonamide

C9H22N2O2S — CID 62663882

IUPACN-[2-(propylamino)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCNCCC
InChIInChI=1S/C9H22N2O2S/c1-3-5-9-14(12,13)11-8-7-10-6-4-2/h10-11H,3-9H2,1-2H3
InChIKeyKWTBGEVFYVRNQR-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.71
Rot. Bonds9

About N-[2-(propylamino)ethyl]butane-1-sulfonamide

N-[2-(propylamino)ethyl]butane-1-sulfonamide (PubChem CID 62663882) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-[2-(propylamino)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(propylamino)ethyl]butane-1-sulfonamide
PubChem CID62663882
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-[2-(propylamino)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCNCCC
InChIInChI=1S/C9H22N2O2S/c1-3-5-9-14(12,13)11-8-7-10-6-4-2/h10-11H,3-9H2,1-2H3
InChIKeyKWTBGEVFYVRNQR-UHFFFAOYSA-N
XLogP0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.71
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

2-(ethylsulfonylamino)-N-[2-(propylamino)ethyl]ethanesulfonamide
CID 120716053
N-decylbutane-1-sulfonamide
CID 19681427
3-[2-(propylamino)ethylsulfamoyl]propanoic acid
CID 62664050
N-(2-sulfamoylethyl)butane-1-sulfonamide
CID 61131734
N-[2-(diethylamino)ethyl]-3-(propylamino)propane-1-sulfonamide
CID 114139014
N-(6-iodohexyl)butane-1-sulfonamide
CID 107848989
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
N-octadecylpropane-1-sulfonamide
CID 88827291
N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide
CID 102915713
N-(3-propoxypropyl)-2-(propylamino)ethanesulfonamide
CID 106074238
N-[3-[4-(3-aminopropylamino)butylamino]propyl]pentane-1-sulfonamide
CID 88877324
N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride
CID 119973459

Frequently Asked Questions

What is the IUPAC name of N-[2-(propylamino)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(propylamino)ethyl]butane-1-sulfonamide (CID 62663882) is N-[2-(propylamino)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(propylamino)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(propylamino)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCNCCC.
What is the InChIKey of N-[2-(propylamino)ethyl]butane-1-sulfonamide?
The InChIKey is KWTBGEVFYVRNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-3-5-9-14(12,13)11-8-7-10-6-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of N-[2-(propylamino)ethyl]butane-1-sulfonamide?
N-[2-(propylamino)ethyl]butane-1-sulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propylamino)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 62663882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).