phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate

C11H14N2O2S — CID 61124407

IUPACphenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
SMILESCCC(NC(=O)Oc1ccccc1)C(N)=S
InChIInChI=1S/C11H14N2O2S/c1-2-9(10(12)16)13-11(14)15-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,12,16)(H,13,14)
InChIKeyFSNCILDQXPAYJJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.84
Rot. Bonds4

About phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate

phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate (PubChem CID 61124407) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
PubChem CID61124407
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Namephenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
SMILESCCC(NC(=O)Oc1ccccc1)C(N)=S
InChIInChI=1S/C11H14N2O2S/c1-2-9(10(12)16)13-11(14)15-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,12,16)(H,13,14)
InChIKeyFSNCILDQXPAYJJ-UHFFFAOYSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-[(2S)-4-amino-1-[[(2R)-butan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 41329856
methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate
CID 43407067
phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 18972767
5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 23278909
phenyl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 115674676
phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 171980527
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-methylphenyl)acetamide
CID 61120290
ethyl (2S)-3-(1H-imidazol-5-yl)-2-(phenoxycarbonylamino)propanoate
CID 14420436
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 61118898
phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 126010648
phenyl N-(2-aminobutyl)carbamate
CID 63732215
1-(phenoxycarbonylamino)propyl 4-methylsulfanyl-2-(phenoxycarbonylamino)butanoate
CID 146513940

Frequently Asked Questions

What is the IUPAC name of phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate?
The IUPAC name of phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate (CID 61124407) is phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate.
What is the SMILES notation for phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate?
The canonical SMILES for phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate is CCC(NC(=O)Oc1ccccc1)C(N)=S.
What is the InChIKey of phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate?
The InChIKey is FSNCILDQXPAYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-2-9(10(12)16)13-11(14)15-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate?
phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate has a molecular weight of 238.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate is sourced from PubChem (CID 61124407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).