[(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide

C12H20N4O2S — CID 146105507

IUPAC[(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide
SMILESCc1cc(N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)nc(C)n1
InChIInChI=1S/C12H20N4O2S/c1-8-5-12(15-9(2)14-8)16-11-4-3-10(6-11)7-19(13,17)18/h5,10-11H,3-4,6-7H2,1-2H3,(H2,13,17,18)(H,14,15,16)/t10-,11+/m0/s1
InChIKeySDVSAVBCSDBURW-WDEREUQCSA-N
MW284.38 g/mol
LogP0.96
Rot. Bonds4

About [(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide

[(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide (PubChem CID 146105507) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is [(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name[(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide
PubChem CID146105507
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name[(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide
SMILESCc1cc(N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)nc(C)n1
InChIInChI=1S/C12H20N4O2S/c1-8-5-12(15-9(2)14-8)16-11-4-3-10(6-11)7-19(13,17)18/h5,10-11H,3-4,6-7H2,1-2H3,(H2,13,17,18)(H,14,15,16)/t10-,11+/m0/s1
InChIKeySDVSAVBCSDBURW-WDEREUQCSA-N
XLogP0.96
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide?
The IUPAC name of [(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide (CID 146105507) is [(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide.
What is the SMILES notation for [(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide?
The canonical SMILES for [(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide is Cc1cc(N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)nc(C)n1.
What is the InChIKey of [(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide?
The InChIKey is SDVSAVBCSDBURW-WDEREUQCSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-8-5-12(15-9(2)14-8)16-11-4-3-10(6-11)7-19(13,17)18/h5,10-11H,3-4,6-7H2,1-2H3,(H2,13,17,18)(H,14,15,16)/t10-,11+/m0/s1.
What are the key properties of [(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide?
[(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[(2,6-dimethylpyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 146105507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).