2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide

C12H27N3O2S — CID 43606828

IUPAC2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide
SMILESCC(C)NCCCNS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H27N3O2S/c1-11(2)13-8-6-9-14-18(16,17)15-10-5-4-7-12(15)3/h11-14H,4-10H2,1-3H3
InChIKeyKFBWKZSAWAOBHI-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.08
Rot. Bonds7

About 2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide

2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide (PubChem CID 43606828) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide
PubChem CID43606828
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide
SMILESCC(C)NCCCNS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H27N3O2S/c1-11(2)13-8-6-9-14-18(16,17)15-10-5-4-7-12(15)3/h11-14H,4-10H2,1-3H3
InChIKeyKFBWKZSAWAOBHI-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide?
The IUPAC name of 2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide (CID 43606828) is 2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide is CC(C)NCCCNS(=O)(=O)N1CCCCC1C.
What is the InChIKey of 2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide?
The InChIKey is KFBWKZSAWAOBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(2)13-8-6-9-14-18(16,17)15-10-5-4-7-12(15)3/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide?
2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 43606828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).