2-(2-sulfanylpropanoylamino)ethyl carbamate

C6H12N2O3S — CID 107034140

IUPAC2-(2-sulfanylpropanoylamino)ethyl carbamate
SMILESCC(S)C(=O)NCCOC(N)=O
InChIInChI=1S/C6H12N2O3S/c1-4(12)5(9)8-2-3-11-6(7)10/h4,12H,2-3H2,1H3,(H2,7,10)(H,8,9)
InChIKeyJXTWIZLGYBNWPF-UHFFFAOYSA-N
MW192.24 g/mol
LogP-0.48
Rot. Bonds4

About 2-(2-sulfanylpropanoylamino)ethyl carbamate

2-(2-sulfanylpropanoylamino)ethyl carbamate (PubChem CID 107034140) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(2-sulfanylpropanoylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(2-sulfanylpropanoylamino)ethyl carbamate
PubChem CID107034140
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name2-(2-sulfanylpropanoylamino)ethyl carbamate
SMILESCC(S)C(=O)NCCOC(N)=O
InChIInChI=1S/C6H12N2O3S/c1-4(12)5(9)8-2-3-11-6(7)10/h4,12H,2-3H2,1H3,(H2,7,10)(H,8,9)
InChIKeyJXTWIZLGYBNWPF-UHFFFAOYSA-N
XLogP-0.48
TPSA81.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(2-sulfanylpropanoylamino)ethyl 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

2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
2-(2-aminopropanoylamino)ethyl carbamate
CID 83209218
2-(2-cyanopropanoylamino)ethyl carbamate
CID 83210393
2-(propan-2-ylamino)ethyl carbamate
CID 79338127
2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate
CID 116678814
2-(tert-butylcarbamoylamino)ethyl carbamate
CID 116657528
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83210549
2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
CID 83210184
2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate
CID 83203999
N-(2-methoxypropyl)-2-sulfanylpropanamide
CID 107036659
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
CID 83210908

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylpropanoylamino)ethyl carbamate?
The IUPAC name of 2-(2-sulfanylpropanoylamino)ethyl carbamate (CID 107034140) is 2-(2-sulfanylpropanoylamino)ethyl carbamate.
What is the SMILES notation for 2-(2-sulfanylpropanoylamino)ethyl carbamate?
The canonical SMILES for 2-(2-sulfanylpropanoylamino)ethyl carbamate is CC(S)C(=O)NCCOC(N)=O.
What is the InChIKey of 2-(2-sulfanylpropanoylamino)ethyl carbamate?
The InChIKey is JXTWIZLGYBNWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-4(12)5(9)8-2-3-11-6(7)10/h4,12H,2-3H2,1H3,(H2,7,10)(H,8,9).
What are the key properties of 2-(2-sulfanylpropanoylamino)ethyl carbamate?
2-(2-sulfanylpropanoylamino)ethyl carbamate has a molecular weight of 192.24 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylpropanoylamino)ethyl carbamate is sourced from PubChem (CID 107034140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).