1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea

C14H22N2O2S — CID 95983514

IUPAC1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
SMILESC[C@](O)(CNC(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-14(18,12-8-5-9-19-12)10-15-13(17)16-11-6-3-2-4-7-11/h5,8-9,11,18H,2-4,6-7,10H2,1H3,(H2,15,16,17)/t14-/m0/s1
InChIKeyDZXZBARFMILXPK-AWEZNQCLSA-N
MW282.41 g/mol
LogP2.59
Rot. Bonds4

About 1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea

1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea (PubChem CID 95983514) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
PubChem CID95983514
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
SMILESC[C@](O)(CNC(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-14(18,12-8-5-9-19-12)10-15-13(17)16-11-6-3-2-4-7-11/h5,8-9,11,18H,2-4,6-7,10H2,1H3,(H2,15,16,17)/t14-/m0/s1
InChIKeyDZXZBARFMILXPK-AWEZNQCLSA-N
XLogP2.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111440902
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]methylidene]amino]acetamide
CID 109420200
1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440963
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443293
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
2-cyclohexylidene-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 71985104
2-cyclohexylidene-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]acetamide
CID 96567021
1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
CID 97087378

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea (CID 95983514) is 1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea is C[C@](O)(CNC(=O)NC1CCCCC1)c1cccs1.
What is the InChIKey of 1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea?
The InChIKey is DZXZBARFMILXPK-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(18,12-8-5-9-19-12)10-15-13(17)16-11-6-3-2-4-7-11/h5,8-9,11,18H,2-4,6-7,10H2,1H3,(H2,15,16,17)/t14-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea?
1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea has a molecular weight of 282.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 95983514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).