1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea

C10H18F3N3O3S — CID 99777745

IUPAC1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)NCC(F)(F)F
InChIInChI=1S/C10H18F3N3O3S/c1-20(18,19)16-8-5-3-2-4-7(8)15-9(17)14-6-10(11,12)13/h7-8,16H,2-6H2,1H3,(H2,14,15,17)/t7-,8+/m0/s1
InChIKeyVWTDZPDZRKGZPX-JGVFFNPUSA-N
MW317.33 g/mol
LogP0.71
Rot. Bonds4

About 1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea

1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 99777745) has the molecular formula C10H18F3N3O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID99777745
Molecular FormulaC10H18F3N3O3S
Molecular Weight317.33 g/mol
Exact Mass317.10
IUPAC Name1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)NCC(F)(F)F
InChIInChI=1S/C10H18F3N3O3S/c1-20(18,19)16-8-5-3-2-4-7(8)15-9(17)14-6-10(11,12)13/h7-8,16H,2-6H2,1H3,(H2,14,15,17)/t7-,8+/m0/s1
InChIKeyVWTDZPDZRKGZPX-JGVFFNPUSA-N
XLogP0.71
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,2S)-2-hydroxycyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 104954569
N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide
CID 11043842
1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 86811886
1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225883
2,2,3-trimethyl-4-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 102627689
N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide
CID 58431850
1-(propan-2-ylamino)-3-(2,2,2-trifluoroethyl)urea
CID 90317695
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
1-methyl-3-[2-(methylcarbamoylamino)cyclohexyl]urea
CID 71020449
N-[(1R,2S)-2-fluorocyclopentyl]methanesulfonamide
CID 130766267
cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide
CID 97068565
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea (CID 99777745) is 1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea is CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)NCC(F)(F)F.
What is the InChIKey of 1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is VWTDZPDZRKGZPX-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H18F3N3O3S/c1-20(18,19)16-8-5-3-2-4-7(8)15-9(17)14-6-10(11,12)13/h7-8,16H,2-6H2,1H3,(H2,14,15,17)/t7-,8+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 317.33 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 99777745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).