4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide

C14H30N2O3S — CID 97151798

IUPAC4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide
SMILESCC[C@H](O)CCNS(=O)(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2O3S/c1-5-13(17)6-9-15-20(18,19)16-10-7-12(8-11-16)14(2,3)4/h12-13,15,17H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyFSTJWYIVHSDVBW-ZDUSSCGKSA-N
MW306.47 g/mol
LogP1.74
Rot. Bonds6

About 4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide

4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide (PubChem CID 97151798) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide
PubChem CID97151798
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide
SMILESCC[C@H](O)CCNS(=O)(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H30N2O3S/c1-5-13(17)6-9-15-20(18,19)16-10-7-12(8-11-16)14(2,3)4/h12-13,15,17H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyFSTJWYIVHSDVBW-ZDUSSCGKSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide?
The IUPAC name of 4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide (CID 97151798) is 4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide is CC[C@H](O)CCNS(=O)(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide?
The InChIKey is FSTJWYIVHSDVBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-5-13(17)6-9-15-20(18,19)16-10-7-12(8-11-16)14(2,3)4/h12-13,15,17H,5-11H2,1-4H3/t13-/m0/s1.
What are the key properties of 4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide?
4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide has a molecular weight of 306.47 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(3S)-3-hydroxypentyl]piperidine-1-sulfonamide is sourced from PubChem (CID 97151798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).