1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea

C14H27N3O3S — CID 95312621

IUPAC1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
SMILESC[C@@H]1CCC[C@H]1NC(=O)NCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H27N3O3S/c1-11-4-3-5-13(11)16-14(18)15-10-12-6-8-17(9-7-12)21(2,19)20/h11-13H,3-10H2,1-2H3,(H2,15,16,18)/t11-,13-/m1/s1
InChIKeyCLMWTLKWSGTHDK-DGCLKSJQSA-N
MW317.46 g/mol
LogP1.15
Rot. Bonds4

About 1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea

1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea (PubChem CID 95312621) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
PubChem CID95312621
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
SMILESC[C@@H]1CCC[C@H]1NC(=O)NCC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H27N3O3S/c1-11-4-3-5-13(11)16-14(18)15-10-12-6-8-17(9-7-12)21(2,19)20/h11-13H,3-10H2,1-2H3,(H2,15,16,18)/t11-,13-/m1/s1
InChIKeyCLMWTLKWSGTHDK-DGCLKSJQSA-N
XLogP1.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea with MolForge

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Related Compounds

(5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 3234545
N-Cyclopentyl-3-(1-methanesulfonylpiperidin-4-YL)pyrrolidine-1-carboxamide
CID 91910328
4-(Cyclopropylmethyl)-4-methanesulfonamido-N-(2-methylpropyl)piperidine-1-carboxamide
CID 124076885
1-Ethyl-3-((1-(methylsulfonyl)piperidin-4-yl)methyl)urea
CID 49688371
1-Isopropyl-3-((1-(methylsulfonyl)piperidin-4-yl)methyl)urea
CID 49688374
N-(2,2-dimethylcyclopentyl)-4-[methylsulfonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxamide
CID 132298148
N-tert-butyl-4-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 49684540
1-(Tert-butyl)-3-((1-(methylsulfonyl)piperidin-4-yl)methyl)urea
CID 49688375
1-Cyclohexyl-3-((1-(methylsulfonyl)piperidin-4-yl)methyl)urea
CID 49688380
N-Cyclohexyl-3-(1-methanesulfonylpiperidin-4-YL)pyrrolidine-1-carboxamide
CID 91910323
1-(2-Methylpropyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 36508605
1-((1-(Cyclopropylsulfonyl)piperidin-4-yl)methyl)-3-isopropylurea
CID 49692356

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea (CID 95312621) is 1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea is C[C@@H]1CCC[C@H]1NC(=O)NCC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea?
The InChIKey is CLMWTLKWSGTHDK-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-11-4-3-5-13(11)16-14(18)15-10-12-6-8-17(9-7-12)21(2,19)20/h11-13H,3-10H2,1-2H3,(H2,15,16,18)/t11-,13-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea?
1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea has a molecular weight of 317.46 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 95312621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).