1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea

C11H16N2O3S — CID 128687498

IUPAC1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)N[C@@H]2COC[C@H]2O)c1
InChIInChI=1S/C11H16N2O3S/c1-7-2-8(17-6-7)3-12-11(15)13-9-4-16-5-10(9)14/h2,6,9-10,14H,3-5H2,1H3,(H2,12,13,15)/t9-,10-/m1/s1
InChIKeyPDSQFPOJHICCBK-NXEZZACHSA-N
MW256.33 g/mol
LogP0.62
Rot. Bonds3

About 1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea

1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea (PubChem CID 128687498) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea
PubChem CID128687498
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)N[C@@H]2COC[C@H]2O)c1
InChIInChI=1S/C11H16N2O3S/c1-7-2-8(17-6-7)3-12-11(15)13-9-4-16-5-10(9)14/h2,6,9-10,14H,3-5H2,1H3,(H2,12,13,15)/t9-,10-/m1/s1
InChIKeyPDSQFPOJHICCBK-NXEZZACHSA-N
XLogP0.62
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(4-methylthiophen-2-yl)methylcarbamoyl]acetamide
CID 131008572
(2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide
CID 131107412
(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol
CID 130751579
1-(cycloheptylmethyl)-3-[(3S,4R)-4-hydroxyoxolan-3-yl]urea
CID 164636917
1-[(3S)-3-[(4-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone
CID 145484891
N-[(3R,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 124600665
N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 55300518
1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-[(4-methylthiophen-2-yl)methyl]urea
CID 136574540
N-(4-hydroxyoxolan-3-yl)propanamide
CID 130659329
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 128649441
ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130751480
1-(2-adamantylmethyl)-3-[(3R,4S)-4-hydroxyoxolan-3-yl]urea
CID 128677874

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea (CID 128687498) is 1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea is Cc1csc(CNC(=O)N[C@@H]2COC[C@H]2O)c1.
What is the InChIKey of 1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea?
The InChIKey is PDSQFPOJHICCBK-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-2-8(17-6-7)3-12-11(15)13-9-4-16-5-10(9)14/h2,6,9-10,14H,3-5H2,1H3,(H2,12,13,15)/t9-,10-/m1/s1.
What are the key properties of 1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea?
1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea has a molecular weight of 256.33 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-hydroxyoxolan-3-yl]-3-[(4-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 128687498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).