(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide

C18H33N3O3S — CID 97348227

IUPAC(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)CC1
InChIInChI=1S/C18H33N3O3S/c1-19-12-9-16(10-13-19)20(2)25(23,24)17-8-5-11-21(14-17)18(22)15-6-3-4-7-15/h15-17H,3-14H2,1-2H3/t17-/m0/s1
InChIKeyUWKHMJHXGHPNQC-KRWDZBQOSA-N
MW371.55 g/mol
LogP1.52
Rot. Bonds4

About (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide

(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide (PubChem CID 97348227) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide
PubChem CID97348227
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC Name(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)CC1
InChIInChI=1S/C18H33N3O3S/c1-19-12-9-16(10-13-19)20(2)25(23,24)17-8-5-11-21(14-17)18(22)15-6-3-4-7-15/h15-17H,3-14H2,1-2H3/t17-/m0/s1
InChIKeyUWKHMJHXGHPNQC-KRWDZBQOSA-N
XLogP1.52
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentanecarbonyl)piperidine-3-sulfonyl chloride
CID 75480497
N-tert-butyl-2-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]sulfonyl-methylamino]acetamide
CID 97348337
(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-(cyclopentanecarbonyl)-N-methylpiperidine-3-sulfonamide
CID 97348392
(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide
CID 97348237
[3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone
CID 120874346
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
cyclopropyl-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090748
(3R)-1-(cyclopentanecarbonyl)-N-(1-propylpiperidin-4-yl)piperidine-3-sulfonamide
CID 97348332
[(3R)-3-(dimethylamino)piperidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone
CID 100672566
cyclopentyl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93040537
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 89469188

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide?
The IUPAC name of (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide (CID 97348227) is (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide?
The canonical SMILES for (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide is CN1CCC(N(C)S(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)CC1.
What is the InChIKey of (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide?
The InChIKey is UWKHMJHXGHPNQC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-19-12-9-16(10-13-19)20(2)25(23,24)17-8-5-11-21(14-17)18(22)15-6-3-4-7-15/h15-17H,3-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide?
(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide has a molecular weight of 371.55 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide is sourced from PubChem (CID 97348227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).