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

C14H32N4O2S — CID 106052820

IUPAC2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
SMILESCC(C)N(C)CCCCNS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C14H32N4O2S/c1-13(2)17(3)10-7-5-9-16-21(19,20)18-11-6-4-8-14(18)12-15/h13-14,16H,4-12,15H2,1-3H3
InChIKeyFIYGVMGBZUTHPL-UHFFFAOYSA-N
MW320.50 g/mol
LogP0.75
Rot. Bonds9

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

2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide (PubChem CID 106052820) has the molecular formula C14H32N4O2S and a molecular weight of 320.50 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
PubChem CID106052820
Molecular FormulaC14H32N4O2S
Molecular Weight320.50 g/mol
Exact Mass320.22
IUPAC Name2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
SMILESCC(C)N(C)CCCCNS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C14H32N4O2S/c1-13(2)17(3)10-7-5-9-16-21(19,20)18-11-6-4-8-14(18)12-15/h13-14,16H,4-12,15H2,1-3H3
InChIKeyFIYGVMGBZUTHPL-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
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

2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
3-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052802
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522853
2-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094240
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094076
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide
CID 106051256
2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
CID 115409106
2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 114141978
2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 114134652
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106080037
2-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide
CID 106433776
N-[2-[ethyl(methyl)amino]ethyl]-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106055934

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide (CID 106052820) is 2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide is CC(C)N(C)CCCCNS(=O)(=O)N1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide?
The InChIKey is FIYGVMGBZUTHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O2S/c1-13(2)17(3)10-7-5-9-16-21(19,20)18-11-6-4-8-14(18)12-15/h13-14,16H,4-12,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide?
2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide has a molecular weight of 320.50 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106052820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).