5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine

C20H32N4O2S2 — CID 78871067

IUPAC5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine
SMILESO=S(=O)(c1ccc(NCC2(N3CCSCC3)CCCC2)nc1)N1CCCCC1
InChIInChI=1S/C20H32N4O2S2/c25-28(26,24-10-4-1-5-11-24)18-6-7-19(21-16-18)22-17-20(8-2-3-9-20)23-12-14-27-15-13-23/h6-7,16H,1-5,8-15,17H2,(H,21,22)
InChIKeyKTSQACNCOQBLNF-UHFFFAOYSA-N
MW424.64 g/mol
LogP3.03
Rot. Bonds6

About 5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine

5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine (PubChem CID 78871067) has the molecular formula C20H32N4O2S2 and a molecular weight of 424.64 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine
PubChem CID78871067
Molecular FormulaC20H32N4O2S2
Molecular Weight424.64 g/mol
Exact Mass424.20
IUPAC Name5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine
SMILESO=S(=O)(c1ccc(NCC2(N3CCSCC3)CCCC2)nc1)N1CCCCC1
InChIInChI=1S/C20H32N4O2S2/c25-28(26,24-10-4-1-5-11-24)18-6-7-19(21-16-18)22-17-20(8-2-3-9-20)23-12-14-27-15-13-23/h6-7,16H,1-5,8-15,17H2,(H,21,22)
InChIKeyKTSQACNCOQBLNF-UHFFFAOYSA-N
XLogP3.03
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.64
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
5-piperidin-1-ylsulfonyl-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 133280931
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
2-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133302465
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 9024535
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 16602081
1-phenyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)hydrazine
CID 5267961
2-[2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]ethoxy]ethanol
CID 4792805
N-tert-butyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9024930

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine?
The IUPAC name of 5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine (CID 78871067) is 5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine is O=S(=O)(c1ccc(NCC2(N3CCSCC3)CCCC2)nc1)N1CCCCC1.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine?
The InChIKey is KTSQACNCOQBLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2S2/c25-28(26,24-10-4-1-5-11-24)18-6-7-19(21-16-18)22-17-20(8-2-3-9-20)23-12-14-27-15-13-23/h6-7,16H,1-5,8-15,17H2,(H,21,22).
What are the key properties of 5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine?
5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine has a molecular weight of 424.64 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]pyridin-2-amine is sourced from PubChem (CID 78871067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).