benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate

C14H14N2O2S — CID 166160888

IUPACbenzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate
SMILESCSc1cc(NC(=O)OCc2ccccc2)ccn1
InChIInChI=1S/C14H14N2O2S/c1-19-13-9-12(7-8-15-13)16-14(17)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,15,16,17)
InChIKeyJTLZDYDUHJYBER-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.55
Rot. Bonds4

About benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate

benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate (PubChem CID 166160888) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate
PubChem CID166160888
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Namebenzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate
SMILESCSc1cc(NC(=O)OCc2ccccc2)ccn1
InChIInChI=1S/C14H14N2O2S/c1-19-13-9-12(7-8-15-13)16-14(17)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,15,16,17)
InChIKeyJTLZDYDUHJYBER-UHFFFAOYSA-N
XLogP3.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[2-(N,S-dimethylsulfonimidoyl)-4-pyridinyl]carbamate
CID 175806154
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-pyrimidin-4-ylcarbamate
CID 141216727
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
methyl-[[4-(phenylmethoxycarbonylaminomethyl)-2-pyridinyl]sulfanylmethyl]phosphinic acid
CID 70829352
benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate
CID 167736278
benzyl N-(1,3-benzoxazol-6-yl)carbamate
CID 110728886
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
benzyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride
CID 155586385
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate?
The IUPAC name of benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate (CID 166160888) is benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate.
What is the SMILES notation for benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate?
The canonical SMILES for benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate is CSc1cc(NC(=O)OCc2ccccc2)ccn1.
What is the InChIKey of benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate?
The InChIKey is JTLZDYDUHJYBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-19-13-9-12(7-8-15-13)16-14(17)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,15,16,17).
What are the key properties of benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate?
benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate has a molecular weight of 274.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate is sourced from PubChem (CID 166160888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).