1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide

C12H29N3O2S — CID 106052815

IUPAC1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NCCCCN(C)C(C)C
InChIInChI=1S/C12H29N3O2S/c1-11(2)15(5)9-7-6-8-14-18(16,17)12(3)10-13-4/h11-14H,6-10H2,1-5H3
InChIKeyIZHZNVBCIBYMIO-UHFFFAOYSA-N
MW279.45 g/mol
LogP0.63
Rot. Bonds10

About 1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide

1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide (PubChem CID 106052815) has the molecular formula C12H29N3O2S and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide
PubChem CID106052815
Molecular FormulaC12H29N3O2S
Molecular Weight279.45 g/mol
Exact Mass279.20
IUPAC Name1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NCCCCN(C)C(C)C
InChIInChI=1S/C12H29N3O2S/c1-11(2)15(5)9-7-6-8-14-18(16,17)12(3)10-13-4/h11-14H,6-10H2,1-5H3
InChIKeyIZHZNVBCIBYMIO-UHFFFAOYSA-N
XLogP0.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 60602606
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
1-(methylamino)-N-(5,5,5-trifluoropentyl)propane-2-sulfonamide
CID 113328190
N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide
CID 114142112
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548
1-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 63664575
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998
1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide
CID 114141939
N-(2-ethoxypropyl)-1-(methylamino)propane-2-sulfonamide
CID 106078789
N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide
CID 106074397
N'-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 146366518

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide?
The IUPAC name of 1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide (CID 106052815) is 1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide?
The canonical SMILES for 1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide is CNCC(C)S(=O)(=O)NCCCCN(C)C(C)C.
What is the InChIKey of 1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide?
The InChIKey is IZHZNVBCIBYMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2S/c1-11(2)15(5)9-7-6-8-14-18(16,17)12(3)10-13-4/h11-14H,6-10H2,1-5H3.
What are the key properties of 1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide?
1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide has a molecular weight of 279.45 g/mol, XLogP of 0.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide is sourced from PubChem (CID 106052815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).