N-[4-(dimethylamino)butyl]propane-1-sulfonamide

C9H22N2O2S — CID 64586138

IUPACN-[4-(dimethylamino)butyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCCN(C)C
InChIInChI=1S/C9H22N2O2S/c1-4-9-14(12,13)10-7-5-6-8-11(2)3/h10H,4-9H2,1-3H3
InChIKeyKTZAWPDQJRLVJC-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.66
Rot. Bonds8

About N-[4-(dimethylamino)butyl]propane-1-sulfonamide

N-[4-(dimethylamino)butyl]propane-1-sulfonamide (PubChem CID 64586138) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]propane-1-sulfonamide
PubChem CID64586138
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-[4-(dimethylamino)butyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCCN(C)C
InChIInChI=1S/C9H22N2O2S/c1-4-9-14(12,13)10-7-5-6-8-11(2)3/h10H,4-9H2,1-3H3
InChIKeyKTZAWPDQJRLVJC-UHFFFAOYSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-octadecylethanesulfonamide
CID 91693805
N-octadecylpropane-1-sulfonamide
CID 88827291
N-[3-(dimethylamino)propyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974106
N-decylbutane-1-sulfonamide
CID 19681427
N-[2-(dimethylamino)ethyl]-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113053585
N,N-dimethylbutan-1-amine;methanesulfonic acid
CID 174158325
N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide
CID 71911755
bis(N,N-dimethylnonadecan-1-amine);sulfuric acid
CID 175167546
N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide
CID 110440573
N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine
CID 63191501
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
N,N'-dihexadecylmethanedisulfonamide
CID 140586841

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(dimethylamino)butyl]propane-1-sulfonamide (CID 64586138) is N-[4-(dimethylamino)butyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCCCN(C)C.
What is the InChIKey of N-[4-(dimethylamino)butyl]propane-1-sulfonamide?
The InChIKey is KTZAWPDQJRLVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-4-9-14(12,13)10-7-5-6-8-11(2)3/h10H,4-9H2,1-3H3.
What are the key properties of N-[4-(dimethylamino)butyl]propane-1-sulfonamide?
N-[4-(dimethylamino)butyl]propane-1-sulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]propane-1-sulfonamide is sourced from PubChem (CID 64586138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).