3-amino-N-propylpiperidine-1-sulfonamide

C8H19N3O2S — CID 114803216

IUPAC3-amino-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C8H19N3O2S/c1-2-5-10-14(12,13)11-6-3-4-8(9)7-11/h8,10H,2-7,9H2,1H3
InChIKeyVYLCRXKBNDDDDB-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.35
Rot. Bonds4

About 3-amino-N-propylpiperidine-1-sulfonamide

3-amino-N-propylpiperidine-1-sulfonamide (PubChem CID 114803216) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-amino-N-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-propylpiperidine-1-sulfonamide
PubChem CID114803216
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name3-amino-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCC(N)C1
InChIInChI=1S/C8H19N3O2S/c1-2-5-10-14(12,13)11-6-3-4-8(9)7-11/h8,10H,2-7,9H2,1H3
InChIKeyVYLCRXKBNDDDDB-UHFFFAOYSA-N
XLogP-0.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 102984427
1-propylsulfonylpiperidin-3-amine;hydrochloride
CID 119959785
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-(2-methylsulfanylethyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106063829
4-amino-N-propyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-sulfonamide
CID 114811337
(3R)-3-aminopiperidine-1-sulfonamide
CID 102984338
3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 43210480
3-(aminomethyl)-N-[2-(diethylamino)ethyl]piperidine-1-sulfonamide
CID 106034394
3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
CID 106063540
3-ethyl-4-hydroxy-N-propylpiperidine-1-sulfonamide
CID 114809965
N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 106126037
(3R)-1-cyclopropylsulfonylpiperidin-3-amine
CID 95378411

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propylpiperidine-1-sulfonamide?
The IUPAC name of 3-amino-N-propylpiperidine-1-sulfonamide (CID 114803216) is 3-amino-N-propylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-amino-N-propylpiperidine-1-sulfonamide?
The canonical SMILES for 3-amino-N-propylpiperidine-1-sulfonamide is CCCNS(=O)(=O)N1CCCC(N)C1.
What is the InChIKey of 3-amino-N-propylpiperidine-1-sulfonamide?
The InChIKey is VYLCRXKBNDDDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-2-5-10-14(12,13)11-6-3-4-8(9)7-11/h8,10H,2-7,9H2,1H3.
What are the key properties of 3-amino-N-propylpiperidine-1-sulfonamide?
3-amino-N-propylpiperidine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 114803216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).