(2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide

C18H27N3O3S2 — CID 7561730

IUPAC(2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
SMILESC[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)NC1CCCC1
InChIInChI=1S/C18H27N3O3S2/c1-14(18(22)20-15-7-3-4-8-15)25-17-10-9-16(13-19-17)26(23,24)21-11-5-2-6-12-21/h9-10,13-15H,2-8,11-12H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyXSKVSVACSGSGNP-CQSZACIVSA-N
MW397.57 g/mol
LogP2.80
Rot. Bonds6

About (2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide

(2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 7561730) has the molecular formula C18H27N3O3S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID7561730
Molecular FormulaC18H27N3O3S2
Molecular Weight397.57 g/mol
Exact Mass397.15
IUPAC Name(2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
SMILESC[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)NC1CCCC1
InChIInChI=1S/C18H27N3O3S2/c1-14(18(22)20-15-7-3-4-8-15)25-17-10-9-16(13-19-17)26(23,24)21-11-5-2-6-12-21/h9-10,13-15H,2-8,11-12H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyXSKVSVACSGSGNP-CQSZACIVSA-N
XLogP2.80
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7561729
N-cycloheptyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625230
(2S)-N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
CID 7778984
(2S)-N-propan-2-yl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 39965753
methyl 2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoate
CID 42929024
(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(2,3-dichlorophenyl)propanamide
CID 41204626
N-(2,5-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46815261
N-[(4-fluorophenyl)methyl]-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46630280
2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 41210634
N-cyclopentyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779585
1-(azepan-1-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propan-1-one
CID 22109709
(2S)-N-(2-phenylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 41327672

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide (CID 7561730) is (2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide is C[C@@H](Sc1ccc(S(=O)(=O)N2CCCCC2)cn1)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is XSKVSVACSGSGNP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O3S2/c1-14(18(22)20-15-7-3-4-8-15)25-17-10-9-16(13-19-17)26(23,24)21-11-5-2-6-12-21/h9-10,13-15H,2-8,11-12H2,1H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
(2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 397.57 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 7561730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).