phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate

C11H14N2O2S — CID 61121026

IUPACphenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate
SMILESCC(C)(NC(=O)Oc1ccccc1)C(N)=S
InChIInChI=1S/C11H14N2O2S/c1-11(2,9(12)16)13-10(14)15-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,16)(H,13,14)
InChIKeyFREGGUVQERUQBP-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.84
Rot. Bonds3

About phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate

phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate (PubChem CID 61121026) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate
PubChem CID61121026
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Namephenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate
SMILESCC(C)(NC(=O)Oc1ccccc1)C(N)=S
InChIInChI=1S/C11H14N2O2S/c1-11(2,9(12)16)13-10(14)15-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,16)(H,13,14)
InChIKeyFREGGUVQERUQBP-UHFFFAOYSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid
CID 65266350
2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572
tert-butyl 3-amino-2-(phenoxycarbonylcarbamothioyl)but-2-enoate
CID 88715461
2-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 79793085
phenyl N-(1,1,2-trifluoroethyl)carbamate
CID 155690482
phenyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059186
phenyl 2-amino-2-methylpropanoate
CID 22002021
2-[(4-bromophenoxy)carbonylamino]-2-methylpropanoic acid
CID 116819598
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methoxybenzamide
CID 61120038
methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate
CID 174910098
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715

Frequently Asked Questions

What is the IUPAC name of phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate?
The IUPAC name of phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate (CID 61121026) is phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate.
What is the SMILES notation for phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate?
The canonical SMILES for phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate is CC(C)(NC(=O)Oc1ccccc1)C(N)=S.
What is the InChIKey of phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate?
The InChIKey is FREGGUVQERUQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-11(2,9(12)16)13-10(14)15-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,12,16)(H,13,14).
What are the key properties of phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate?
phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate has a molecular weight of 238.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)carbamate is sourced from PubChem (CID 61121026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).