(3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide

C17H27N3O2S — CID 124621953

IUPAC(3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide
SMILESCc1cncc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1
InChIInChI=1S/C17H27N3O2S/c1-14-9-15(11-18-10-14)12-20-8-4-7-17(13-20)23(21,22)19-16-5-2-3-6-16/h9-11,16-17,19H,2-8,12-13H2,1H3/t17-/m1/s1
InChIKeyDXFZDDWKJHIZCI-QGZVFWFLSA-N
MW337.49 g/mol
LogP2.22
Rot. Bonds5

About (3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide

(3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide (PubChem CID 124621953) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide
PubChem CID124621953
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide
SMILESCc1cncc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1
InChIInChI=1S/C17H27N3O2S/c1-14-9-15(11-18-10-14)12-20-8-4-7-17(13-20)23(21,22)19-16-5-2-3-6-16/h9-11,16-17,19H,2-8,12-13H2,1H3/t17-/m1/s1
InChIKeyDXFZDDWKJHIZCI-QGZVFWFLSA-N
XLogP2.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide
CID 129398362
3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878825
(3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 124616923
3-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878847
(3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide
CID 124616926
N-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 172881633
[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 103840862
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 146074496
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid
CID 102877523
3-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
CID 102879078
N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 155800148
2-(2-methylpropyl)-5-[(3-methylsulfonylpiperidin-1-yl)methyl]pyridine
CID 154780977

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide?
The IUPAC name of (3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide (CID 124621953) is (3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for (3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for (3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide is Cc1cncc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1.
What is the InChIKey of (3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide?
The InChIKey is DXFZDDWKJHIZCI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-14-9-15(11-18-10-14)12-20-8-4-7-17(13-20)23(21,22)19-16-5-2-3-6-16/h9-11,16-17,19H,2-8,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide?
(3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide has a molecular weight of 337.49 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 124621953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).