1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea

C11H18N2O2S — CID 111504571

IUPAC1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea
SMILESCC(CCO)CNC(=O)NCc1ccsc1
InChIInChI=1S/C11H18N2O2S/c1-9(2-4-14)6-12-11(15)13-7-10-3-5-16-8-10/h3,5,8-9,14H,2,4,6-7H2,1H3,(H2,12,13,15)
InChIKeyOYCNSCSBYJEAQK-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.57
Rot. Bonds6

About 1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea

1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea (PubChem CID 111504571) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea
PubChem CID111504571
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea
SMILESCC(CCO)CNC(=O)NCc1ccsc1
InChIInChI=1S/C11H18N2O2S/c1-9(2-4-14)6-12-11(15)13-7-10-3-5-16-8-10/h3,5,8-9,14H,2,4,6-7H2,1H3,(H2,12,13,15)
InChIKeyOYCNSCSBYJEAQK-UHFFFAOYSA-N
XLogP1.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111487017
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111504775
1-(4-hydroxy-3-methylbutan-2-yl)-3-(thiophen-3-ylmethyl)urea
CID 111454363
1-(4-hydroxy-2,2-dimethylbutyl)-3-(thiophen-3-ylmethyl)urea
CID 111504565
1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
CID 130682664
1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea
CID 95774033
1-(4-hydroxy-2-methylbutyl)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 111506024
4-methyl-5-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 82010120
5-amino-N-(thiophen-3-ylmethyl)hexanamide
CID 82851671
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 63244721
1-[(4-ethoxy-3-methylphenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111506228

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea (CID 111504571) is 1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea is CC(CCO)CNC(=O)NCc1ccsc1.
What is the InChIKey of 1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea?
The InChIKey is OYCNSCSBYJEAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(2-4-14)6-12-11(15)13-7-10-3-5-16-8-10/h3,5,8-9,14H,2,4,6-7H2,1H3,(H2,12,13,15).
What are the key properties of 1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea?
1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea has a molecular weight of 242.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 111504571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).