(3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C20H25N3O3S2 — CID 35753696

IUPAC(3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(Cc3cccnc3)C3CC3)C2)s1
InChIInChI=1S/C20H25N3O3S2/c1-15-6-9-19(27-15)28(25,26)22-11-3-5-17(14-22)20(24)23(18-7-8-18)13-16-4-2-10-21-12-16/h2,4,6,9-10,12,17-18H,3,5,7-8,11,13-14H2,1H3/t17-/m0/s1
InChIKeyTXZRJXOYHUXXRK-KRWDZBQOSA-N
MW419.57 g/mol
LogP3.04
Rot. Bonds6

About (3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 35753696) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID35753696
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC Name(3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(Cc3cccnc3)C3CC3)C2)s1
InChIInChI=1S/C20H25N3O3S2/c1-15-6-9-19(27-15)28(25,26)22-11-3-5-17(14-22)20(24)23(18-7-8-18)13-16-4-2-10-21-12-16/h2,4,6,9-10,12,17-18H,3,5,7-8,11,13-14H2,1H3/t17-/m0/s1
InChIKeyTXZRJXOYHUXXRK-KRWDZBQOSA-N
XLogP3.04
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
CID 35368613
1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide
CID 46438624
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
3-[methyl-[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119233258
N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 60622079
N-(2-fluorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 75419057
[4-(methylaminomethyl)piperidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 119546707
N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712917
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
1,4-diazepan-1-yl-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 119418448
[2-(methylaminomethyl)pyrrolidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone;hydrochloride
CID 119651942
[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 134050436

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 35753696) is (3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(Cc3cccnc3)C3CC3)C2)s1.
What is the InChIKey of (3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is TXZRJXOYHUXXRK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c1-15-6-9-19(27-15)28(25,26)22-11-3-5-17(14-22)20(24)23(18-7-8-18)13-16-4-2-10-21-12-16/h2,4,6,9-10,12,17-18H,3,5,7-8,11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 35753696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).