1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea

C13H22N2O2S — CID 110901056

IUPAC1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
SMILESCC(C)CC(NC(=O)NC(C)CO)c1cccs1
InChIInChI=1S/C13H22N2O2S/c1-9(2)7-11(12-5-4-6-18-12)15-13(17)14-10(3)8-16/h4-6,9-11,16H,7-8H2,1-3H3,(H2,14,15,17)
InChIKeySVFCTEXBTGJTIN-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.52
Rot. Bonds6

About 1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea

1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea (PubChem CID 110901056) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
PubChem CID110901056
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
SMILESCC(C)CC(NC(=O)NC(C)CO)c1cccs1
InChIInChI=1S/C13H22N2O2S/c1-9(2)7-11(12-5-4-6-18-12)15-13(17)14-10(3)8-16/h4-6,9-11,16H,7-8H2,1-3H3,(H2,14,15,17)
InChIKeySVFCTEXBTGJTIN-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-thiophen-2-ylpropyl)urea
CID 75383509
1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 97233716
1-(1-hydroxypropan-2-yl)-3-thiophen-2-ylurea
CID 131154153
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-(1-hydroxypropan-2-yl)urea
CID 111507071
4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 111438385
(3R)-3-[(3-methyl-1-thiophen-2-ylbutyl)amino]butan-1-ol
CID 103871621
N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
CID 115706824
2-amino-N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115286053
2-(5-methylhexan-2-ylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285557
2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide
CID 95596104
1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 111438387
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 86826124

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea (CID 110901056) is 1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea is CC(C)CC(NC(=O)NC(C)CO)c1cccs1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea?
The InChIKey is SVFCTEXBTGJTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(2)7-11(12-5-4-6-18-12)15-13(17)14-10(3)8-16/h4-6,9-11,16H,7-8H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea?
1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea has a molecular weight of 270.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea is sourced from PubChem (CID 110901056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).