1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate

C10H13NO3S — CID 70121991

IUPAC1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate
SMILESCC(OC(N)=O)SCc1ccccc1O
InChIInChI=1S/C10H13NO3S/c1-7(14-10(11)13)15-6-8-4-2-3-5-9(8)12/h2-5,7,12H,6H2,1H3,(H2,11,13)
InChIKeyCUQIHPONMBYLDN-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.07
Rot. Bonds4

About 1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate

1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate (PubChem CID 70121991) has the molecular formula C10H13NO3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate
PubChem CID70121991
Molecular FormulaC10H13NO3S
Molecular Weight227.29 g/mol
Exact Mass227.06
IUPAC Name1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate
SMILESCC(OC(N)=O)SCc1ccccc1O
InChIInChI=1S/C10H13NO3S/c1-7(14-10(11)13)15-6-8-4-2-3-5-9(8)12/h2-5,7,12H,6H2,1H3,(H2,11,13)
InChIKeyCUQIHPONMBYLDN-UHFFFAOYSA-N
XLogP2.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[5-(2-hydroxyphenyl)-1-(methylamino)-1-oxopentan-2-yl] carbamate
CID 175536657
1-(2-methylphenyl)sulfanylethyl carbamate
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methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
2-ethylphenol;formaldehyde;urea
CID 162140280
(2S)-2-(naphthalen-1-ylmethylsulfanyl)propanamide
CID 94192877
1-benzylsulfanylethyl butanoate
CID 102387800
methyl 2-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 78842701
3-phenylpentan-2-yl carbamate
CID 70616482
methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate
CID 60712354
methyl 3-[(2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 114332021
2-[2-(3-methylbutan-2-ylsulfanylmethyl)phenyl]acetic acid
CID 107746260
2-(2-hydroxyphenyl)ethyl methyl carbonate
CID 102381478

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate?
The IUPAC name of 1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate (CID 70121991) is 1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate?
The canonical SMILES for 1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate is CC(OC(N)=O)SCc1ccccc1O.
What is the InChIKey of 1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate?
The InChIKey is CUQIHPONMBYLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-7(14-10(11)13)15-6-8-4-2-3-5-9(8)12/h2-5,7,12H,6H2,1H3,(H2,11,13).
What are the key properties of 1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate?
1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate has a molecular weight of 227.29 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methylsulfanyl]ethyl carbamate is sourced from PubChem (CID 70121991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).