1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea

C12H24N2O2S — CID 124856109

IUPAC1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea
SMILESCC[C@H](CSC)NC(=O)N[C@H](C)[C@H]1CCOC1
InChIInChI=1S/C12H24N2O2S/c1-4-11(8-17-3)14-12(15)13-9(2)10-5-6-16-7-10/h9-11H,4-8H2,1-3H3,(H2,13,14,15)/t9-,10+,11-/m1/s1
InChIKeyFIYNGWBXCVVTBK-OUAUKWLOSA-N
MW260.40 g/mol
LogP1.85
Rot. Bonds6

About 1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea

1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea (PubChem CID 124856109) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea
PubChem CID124856109
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea
SMILESCC[C@H](CSC)NC(=O)N[C@H](C)[C@H]1CCOC1
InChIInChI=1S/C12H24N2O2S/c1-4-11(8-17-3)14-12(15)13-9(2)10-5-6-16-7-10/h9-11H,4-8H2,1-3H3,(H2,13,14,15)/t9-,10+,11-/m1/s1
InChIKeyFIYNGWBXCVVTBK-OUAUKWLOSA-N
XLogP1.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]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

3-cyclopropyl-2-[1-(oxolan-3-yl)ethylcarbamoylamino]propanoic acid
CID 114189004
1-[(2S)-1-methylsulfanylbutan-2-yl]-3-(oxan-4-ylmethyl)urea
CID 124615314
(2S)-4-hydroxy-2-[1-(oxolan-3-yl)ethylcarbamoylamino]butanoic acid
CID 107829262
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]urea
CID 99698082
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine
CID 115721709
(2S)-5-methoxy-5-oxo-2-[1-(oxolan-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107829261
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 75517864
1-methyl-3-[1-(oxolan-3-yl)propyl]urea
CID 131131539
2-methoxy-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 115648955
2-hydroxy-2-methyl-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 103430535

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea?
The IUPAC name of 1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea (CID 124856109) is 1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea.
What is the SMILES notation for 1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea?
The canonical SMILES for 1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea is CC[C@H](CSC)NC(=O)N[C@H](C)[C@H]1CCOC1.
What is the InChIKey of 1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea?
The InChIKey is FIYNGWBXCVVTBK-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-4-11(8-17-3)14-12(15)13-9(2)10-5-6-16-7-10/h9-11H,4-8H2,1-3H3,(H2,13,14,15)/t9-,10+,11-/m1/s1.
What are the key properties of 1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea?
1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea has a molecular weight of 260.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea is sourced from PubChem (CID 124856109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).