methyl N-(phenylsulfanylamino)carbamate

C8H10N2O2S — CID 21160766

IUPACmethyl N-(phenylsulfanylamino)carbamate
SMILESCOC(=O)NNSc1ccccc1
InChIInChI=1S/C8H10N2O2S/c1-12-8(11)9-10-13-7-5-3-2-4-6-7/h2-6,10H,1H3,(H,9,11)
InChIKeyJOMYDOPYDPIXPX-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.55
Rot. Bonds3

About methyl N-(phenylsulfanylamino)carbamate

methyl N-(phenylsulfanylamino)carbamate (PubChem CID 21160766) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is methyl N-(phenylsulfanylamino)carbamate.

Molecular Properties

Compound Namemethyl N-(phenylsulfanylamino)carbamate
PubChem CID21160766
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Namemethyl N-(phenylsulfanylamino)carbamate
SMILESCOC(=O)NNSc1ccccc1
InChIInChI=1S/C8H10N2O2S/c1-12-8(11)9-10-13-7-5-3-2-4-6-7/h2-6,10H,1H3,(H,9,11)
InChIKeyJOMYDOPYDPIXPX-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-diethyl-3-(phenylsulfanylamino)urea
CID 151507405
methyl N-(phenyldisulfanyl)carbamate
CID 88680071
2,6-difluoro-N'-phenylsulfanylbenzohydrazide
CID 142366791
methyl phenylsulfanylformate
CID 10241190
diphenylphosphorylbenzene;methyl N-(methoxycarbonylamino)carbamate
CID 139081479
2-methoxy-N'-(4-methylphenyl)sulfanylbenzohydrazide
CID 153404330
3-ethoxy-N'-phenylsulfanylbenzohydrazide
CID 155393059
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate
CID 12963032
3-methoxy-N'-phenylsulfanyl-5-pyrazol-1-ylbenzohydrazide
CID 155393131
methyl 2-oxo-2-(4-phenylsulfanylphenyl)acetate
CID 59163554
methyl hydrogen carbonate;phenol
CID 126664263

Frequently Asked Questions

What is the IUPAC name of methyl N-(phenylsulfanylamino)carbamate?
The IUPAC name of methyl N-(phenylsulfanylamino)carbamate (CID 21160766) is methyl N-(phenylsulfanylamino)carbamate.
What is the SMILES notation for methyl N-(phenylsulfanylamino)carbamate?
The canonical SMILES for methyl N-(phenylsulfanylamino)carbamate is COC(=O)NNSc1ccccc1.
What is the InChIKey of methyl N-(phenylsulfanylamino)carbamate?
The InChIKey is JOMYDOPYDPIXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-12-8(11)9-10-13-7-5-3-2-4-6-7/h2-6,10H,1H3,(H,9,11).
What are the key properties of methyl N-(phenylsulfanylamino)carbamate?
methyl N-(phenylsulfanylamino)carbamate has a molecular weight of 198.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(phenylsulfanylamino)carbamate is sourced from PubChem (CID 21160766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).