3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide

C14H32N4O2S — CID 106052802

IUPAC3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
SMILESCC(C)N(C)CCCCNS(=O)(=O)N1CCCC(CN)C1
InChIInChI=1S/C14H32N4O2S/c1-13(2)17(3)9-5-4-8-16-21(19,20)18-10-6-7-14(11-15)12-18/h13-14,16H,4-12,15H2,1-3H3
InChIKeyGBUSOJBYOMZFEK-UHFFFAOYSA-N
MW320.50 g/mol
LogP0.61
Rot. Bonds9

About 3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide

3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide (PubChem CID 106052802) has the molecular formula C14H32N4O2S and a molecular weight of 320.50 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
PubChem CID106052802
Molecular FormulaC14H32N4O2S
Molecular Weight320.50 g/mol
Exact Mass320.22
IUPAC Name3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
SMILESCC(C)N(C)CCCCNS(=O)(=O)N1CCCC(CN)C1
InChIInChI=1S/C14H32N4O2S/c1-13(2)17(3)9-5-4-8-16-21(19,20)18-10-6-7-14(11-15)12-18/h13-14,16H,4-12,15H2,1-3H3
InChIKeyGBUSOJBYOMZFEK-UHFFFAOYSA-N
XLogP0.61
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]piperidine-1-sulfonamide
CID 106040996
3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
CID 106034394
3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
CID 106063540
2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052820
3-(aminomethyl)-N-(2-piperidin-1-ylethyl)piperidine-1-sulfonamide
CID 106049657
3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106053544
3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide
CID 106077004
3-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]piperidine-1-sulfonamide
CID 106081643
4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664
4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881
4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide
CID 114132361
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide (CID 106052802) is 3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide is CC(C)N(C)CCCCNS(=O)(=O)N1CCCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide?
The InChIKey is GBUSOJBYOMZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O2S/c1-13(2)17(3)9-5-4-8-16-21(19,20)18-10-6-7-14(11-15)12-18/h13-14,16H,4-12,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide?
3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide has a molecular weight of 320.50 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106052802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).