N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide

C12H27N3O2S — CID 106049193

IUPACN-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)C1CCNCC1
InChIInChI=1S/C12H27N3O2S/c1-11(2)15(3)10-4-7-14-18(16,17)12-5-8-13-9-6-12/h11-14H,4-10H2,1-3H3
InChIKeyGWBITGFIPFMHBB-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.39
Rot. Bonds7

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

N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide (PubChem CID 106049193) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide
PubChem CID106049193
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)C1CCNCC1
InChIInChI=1S/C12H27N3O2S/c1-11(2)15(3)10-4-7-14-18(16,17)12-5-8-13-9-6-12/h11-14H,4-10H2,1-3H3
InChIKeyGWBITGFIPFMHBB-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.39
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

N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-4-sulfonamide
CID 114134795
N'-methyl-N'-propan-2-yl-N-pyrrolidin-3-ylpropane-1,3-diamine
CID 106041004
N-(3-methylbutyl)pyrrolidine-3-sulfonamide
CID 65421561
N-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide
CID 65422646
N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide
CID 114134808
N-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide
CID 63244711
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide
CID 54974104
N-[4-[methyl(propan-2-yl)amino]butyl]methanesulfonamide
CID 60602606
N-(4-hydroxypentyl)cyclopropanesulfonamide
CID 107271165
N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride
CID 119994489
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide
CID 95617460

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide?
The IUPAC name of N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide (CID 106049193) is N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide.
What is the SMILES notation for N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide?
The canonical SMILES for N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide is CC(C)N(C)CCCNS(=O)(=O)C1CCNCC1.
What is the InChIKey of N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide?
The InChIKey is GWBITGFIPFMHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(2)15(3)10-4-7-14-18(16,17)12-5-8-13-9-6-12/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide?
N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide is sourced from PubChem (CID 106049193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).