[(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide

C10H15ClN4O2S — CID 146142764

IUPAC[(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide
SMILESNS(=O)(=O)C[C@@H]1CC[C@H](Nc2ncc(Cl)cn2)C1
InChIInChI=1S/C10H15ClN4O2S/c11-8-4-13-10(14-5-8)15-9-2-1-7(3-9)6-18(12,16)17/h4-5,7,9H,1-3,6H2,(H2,12,16,17)(H,13,14,15)/t7-,9+/m1/s1
InChIKeyDTKHZANXGIONOZ-APPZFPTMSA-N
MW290.78 g/mol
LogP1.00
Rot. Bonds4

About [(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide

[(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide (PubChem CID 146142764) has the molecular formula C10H15ClN4O2S and a molecular weight of 290.78 g/mol. Its IUPAC name is [(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name[(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide
PubChem CID146142764
Molecular FormulaC10H15ClN4O2S
Molecular Weight290.78 g/mol
Exact Mass290.06
IUPAC Name[(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide
SMILESNS(=O)(=O)C[C@@H]1CC[C@H](Nc2ncc(Cl)cn2)C1
InChIInChI=1S/C10H15ClN4O2S/c11-8-4-13-10(14-5-8)15-9-2-1-7(3-9)6-18(12,16)17/h4-5,7,9H,1-3,6H2,(H2,12,16,17)(H,13,14,15)/t7-,9+/m1/s1
InChIKeyDTKHZANXGIONOZ-APPZFPTMSA-N
XLogP1.00
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,3S)-3-[(4-bromo-2-pyridinyl)amino]cyclopentyl]methanesulfonamide
CID 146149046
[(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide
CID 146105507
5-chloro-N-(2-ethylcyclopropyl)pyrimidin-2-amine
CID 103724840
5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103724876
5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine
CID 79557581
4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine
CID 155222929
5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine
CID 103889202
2-N-(4-propylcyclohexyl)pyrimidine-2,5-diamine
CID 54962936
4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130672
2-N-cyclopropylpyrimidine-2,5-diamine
CID 59381911
3-[(5-chloropyrimidin-2-yl)amino]pyrrolidine-1-carbaldehyde
CID 175109360
5-bromo-N-(4-propylcyclohexyl)pyrimidin-2-amine
CID 63874176

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide?
The IUPAC name of [(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide (CID 146142764) is [(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide.
What is the SMILES notation for [(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide?
The canonical SMILES for [(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide is NS(=O)(=O)C[C@@H]1CC[C@H](Nc2ncc(Cl)cn2)C1.
What is the InChIKey of [(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide?
The InChIKey is DTKHZANXGIONOZ-APPZFPTMSA-N. The full InChI is InChI=1S/C10H15ClN4O2S/c11-8-4-13-10(14-5-8)15-9-2-1-7(3-9)6-18(12,16)17/h4-5,7,9H,1-3,6H2,(H2,12,16,17)(H,13,14,15)/t7-,9+/m1/s1.
What are the key properties of [(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide?
[(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide has a molecular weight of 290.78 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[(5-chloropyrimidin-2-yl)amino]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 146142764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).