1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea

C12H18N2O2S — CID 94909098

IUPAC1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
SMILESC[C@@](O)(CNC(=O)NCc1cccs1)C1CC1
InChIInChI=1S/C12H18N2O2S/c1-12(16,9-4-5-9)8-14-11(15)13-7-10-3-2-6-17-10/h2-3,6,9,16H,4-5,7-8H2,1H3,(H2,13,14,15)/t12-/m1/s1
InChIKeyORTSKKSZPCWJQQ-GFCCVEGCSA-N
MW254.35 g/mol
LogP1.71
Rot. Bonds5

About 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea

1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 94909098) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID94909098
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
SMILESC[C@@](O)(CNC(=O)NCc1cccs1)C1CC1
InChIInChI=1S/C12H18N2O2S/c1-12(16,9-4-5-9)8-14-11(15)13-7-10-3-2-6-17-10/h2-3,6,9,16H,4-5,7-8H2,1H3,(H2,13,14,15)/t12-/m1/s1
InChIKeyORTSKKSZPCWJQQ-GFCCVEGCSA-N
XLogP1.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 95982777
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
1-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 71787409
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 95983775
1-(thiophen-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 90498154
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
1-(1-cyclopropylethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125498
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 129417632
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 78957766
1-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 71810708
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea (CID 94909098) is 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea is C[C@@](O)(CNC(=O)NCc1cccs1)C1CC1.
What is the InChIKey of 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is ORTSKKSZPCWJQQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(16,9-4-5-9)8-14-11(15)13-7-10-3-2-6-17-10/h2-3,6,9,16H,4-5,7-8H2,1H3,(H2,13,14,15)/t12-/m1/s1.
What are the key properties of 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea?
1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 254.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 94909098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).