(3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide

C20H37N3O3S — CID 97348596

IUPAC(3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide
SMILESCC(C)CN1CCC(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1
InChIInChI=1S/C20H37N3O3S/c1-16(2)14-22-12-9-17(10-13-22)20(24)23-11-5-8-19(15-23)27(25,26)21-18-6-3-4-7-18/h16-19,21H,3-15H2,1-2H3/t19-/m0/s1
InChIKeyUEHKWJMDFYYMAB-IBGZPJMESA-N
MW399.60 g/mol
LogP2.21
Rot. Bonds6

About (3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide

(3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide (PubChem CID 97348596) has the molecular formula C20H37N3O3S and a molecular weight of 399.60 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide
PubChem CID97348596
Molecular FormulaC20H37N3O3S
Molecular Weight399.60 g/mol
Exact Mass399.26
IUPAC Name(3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide
SMILESCC(C)CN1CCC(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1
InChIInChI=1S/C20H37N3O3S/c1-16(2)14-22-12-9-17(10-13-22)20(24)23-11-5-8-19(15-23)27(25,26)21-18-6-3-4-7-18/h16-19,21H,3-15H2,1-2H3/t19-/m0/s1
InChIKeyUEHKWJMDFYYMAB-IBGZPJMESA-N
XLogP2.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.60
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide?
The IUPAC name of (3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide (CID 97348596) is (3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide.
What is the SMILES notation for (3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide?
The canonical SMILES for (3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide is CC(C)CN1CCC(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1.
What is the InChIKey of (3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide?
The InChIKey is UEHKWJMDFYYMAB-IBGZPJMESA-N. The full InChI is InChI=1S/C20H37N3O3S/c1-16(2)14-22-12-9-17(10-13-22)20(24)23-11-5-8-19(15-23)27(25,26)21-18-6-3-4-7-18/h16-19,21H,3-15H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide?
(3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide has a molecular weight of 399.60 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-1-[1-(2-methylpropyl)piperidine-4-carbonyl]piperidine-3-sulfonamide is sourced from PubChem (CID 97348596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).