2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate

C12H17NO3S — CID 79346209

IUPAC2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate
SMILESCSc1ccc(C(C)NC(=O)OCCO)cc1
InChIInChI=1S/C12H17NO3S/c1-9(13-12(15)16-8-7-14)10-3-5-11(17-2)6-4-10/h3-6,9,14H,7-8H2,1-2H3,(H,13,15)
InChIKeyYGVDRSOSCNGXIC-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.19
Rot. Bonds5

About 2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate

2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate (PubChem CID 79346209) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate
PubChem CID79346209
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate
SMILESCSc1ccc(C(C)NC(=O)OCCO)cc1
InChIInChI=1S/C12H17NO3S/c1-9(13-12(15)16-8-7-14)10-3-5-11(17-2)6-4-10/h3-6,9,14H,7-8H2,1-2H3,(H,13,15)
InChIKeyYGVDRSOSCNGXIC-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate
CID 81357175
2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate
CID 81355345
(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 78971913
2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate
CID 81361011
3-amino-4-[1-(4-methylsulfanylphenyl)ethylamino]-4-oxobutanoic acid
CID 64894329
2-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43698352
N-[2-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]-2-oxoethyl]propanamide
CID 94671225
2-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]butanamide
CID 65224904
2-cyano-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 14883609
2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 79345496
6-[1-(4-methylsulfanylphenyl)ethylamino]-6-oxohexanoic acid
CID 60942052
2-[2-[1-(4-methylsulfanylphenyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 113427697

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate (CID 79346209) is 2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate is CSc1ccc(C(C)NC(=O)OCCO)cc1.
What is the InChIKey of 2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate?
The InChIKey is YGVDRSOSCNGXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9(13-12(15)16-8-7-14)10-3-5-11(17-2)6-4-10/h3-6,9,14H,7-8H2,1-2H3,(H,13,15).
What are the key properties of 2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate?
2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate has a molecular weight of 255.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate is sourced from PubChem (CID 79346209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).