(3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide

C15H25N5O2S — CID 124616923

IUPAC(3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide
SMILESNc1ccnc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1
InChIInChI=1S/C15H25N5O2S/c16-14-7-8-17-15(18-14)11-20-9-3-6-13(10-20)23(21,22)19-12-4-1-2-5-12/h7-8,12-13,19H,1-6,9-11H2,(H2,16,17,18)/t13-/m1/s1
InChIKeyJXTFQNXAPZFZDV-CYBMUJFWSA-N
MW339.47 g/mol
LogP0.89
Rot. Bonds5

About (3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide

(3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide (PubChem CID 124616923) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is (3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide
PubChem CID124616923
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name(3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide
SMILESNc1ccnc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1
InChIInChI=1S/C15H25N5O2S/c16-14-7-8-17-15(18-14)11-20-9-3-6-13(10-20)23(21,22)19-12-4-1-2-5-12/h7-8,12-13,19H,1-6,9-11H2,(H2,16,17,18)/t13-/m1/s1
InChIKeyJXTFQNXAPZFZDV-CYBMUJFWSA-N
XLogP0.89
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(piperidin-1-ylmethyl)pyrimidin-4-amine
CID 82278529
(3S)-N-cyclopentyl-1-(1H-imidazol-5-ylmethyl)piperidine-3-sulfonamide
CID 129398362
(3R)-N-cyclopentyl-1-[(5-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide
CID 124621953
(3S)-N-cyclopentyl-1-(2-imidazol-1-ylethyl)piperidine-3-sulfonamide
CID 124616926
(3S)-N-cyclopentyl-1-pyrido[2,3-b]pyrazin-6-ylpiperidine-3-sulfonamide
CID 97348278
N-cyclopentyl-1-(2-methylprop-2-enyl)piperidine-3-sulfonamide
CID 122138742
(3S)-N-cyclopentyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-sulfonamide
CID 124736119
1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
CID 75476198
(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588
2-[[(3S)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methyl]pyrimidin-4-amine
CID 124734665
N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 155800148
(3S)-1-[(2-amino-4-pyridinyl)methyl]-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 100698843

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide?
The IUPAC name of (3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide (CID 124616923) is (3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide.
What is the SMILES notation for (3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide?
The canonical SMILES for (3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide is Nc1ccnc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1.
What is the InChIKey of (3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide?
The InChIKey is JXTFQNXAPZFZDV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N5O2S/c16-14-7-8-17-15(18-14)11-20-9-3-6-13(10-20)23(21,22)19-12-4-1-2-5-12/h7-8,12-13,19H,1-6,9-11H2,(H2,16,17,18)/t13-/m1/s1.
What are the key properties of (3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide?
(3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide has a molecular weight of 339.47 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-aminopyrimidin-2-yl)methyl]-N-cyclopentylpiperidine-3-sulfonamide is sourced from PubChem (CID 124616923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).