1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea

C15H24N2O2S — CID 98787637

IUPAC1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
SMILESC[C@H](Cc1ccsc1)NC(=O)N[C@H]1CCCC[C@H]1CO
InChIInChI=1S/C15H24N2O2S/c1-11(8-12-6-7-20-10-12)16-15(19)17-14-5-3-2-4-13(14)9-18/h6-7,10-11,13-14,18H,2-5,8-9H2,1H3,(H2,16,17,19)/t11-,13+,14+/m1/s1
InChIKeyJIEJWPNUZMXGPV-XBFCOCLRSA-N
MW296.44 g/mol
LogP2.53
Rot. Bonds5

About 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea

1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea (PubChem CID 98787637) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
PubChem CID98787637
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
SMILESC[C@H](Cc1ccsc1)NC(=O)N[C@H]1CCCC[C@H]1CO
InChIInChI=1S/C15H24N2O2S/c1-11(8-12-6-7-20-10-12)16-15(19)17-14-5-3-2-4-13(14)9-18/h6-7,10-11,13-14,18H,2-5,8-9H2,1H3,(H2,16,17,19)/t11-,13+,14+/m1/s1
InChIKeyJIEJWPNUZMXGPV-XBFCOCLRSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea with MolForge

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Related Compounds

1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 98787638
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64816725
N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 103774160
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 71980784
1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
CID 75390351
4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79215973
N-cyclopentyl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953333
2-[cyclopentyl(1-thiophen-3-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61475485
2-(1-thiophen-3-ylpropan-2-ylamino)cyclopentan-1-ol
CID 61473631
4-hydroxy-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61475780
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111630900
N-[2-(chloromethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106365962

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea?
The IUPAC name of 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea (CID 98787637) is 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea is C[C@H](Cc1ccsc1)NC(=O)N[C@H]1CCCC[C@H]1CO.
What is the InChIKey of 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea?
The InChIKey is JIEJWPNUZMXGPV-XBFCOCLRSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(8-12-6-7-20-10-12)16-15(19)17-14-5-3-2-4-13(14)9-18/h6-7,10-11,13-14,18H,2-5,8-9H2,1H3,(H2,16,17,19)/t11-,13+,14+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea?
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea has a molecular weight of 296.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea is sourced from PubChem (CID 98787637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).