ethyl N-(4-aminothiolan-3-yl)carbamate

C7H14N2O2S — CID 45119393

IUPACethyl N-(4-aminothiolan-3-yl)carbamate
SMILESCCOC(=O)NC1CSCC1N
InChIInChI=1S/C7H14N2O2S/c1-2-11-7(10)9-6-4-12-3-5(6)8/h5-6H,2-4,8H2,1H3,(H,9,10)
InChIKeyPUWKWTQAYXTMIZ-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.18
Rot. Bonds2

About ethyl N-(4-aminothiolan-3-yl)carbamate

ethyl N-(4-aminothiolan-3-yl)carbamate (PubChem CID 45119393) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is ethyl N-(4-aminothiolan-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-aminothiolan-3-yl)carbamate
PubChem CID45119393
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Nameethyl N-(4-aminothiolan-3-yl)carbamate
SMILESCCOC(=O)NC1CSCC1N
InChIInChI=1S/C7H14N2O2S/c1-2-11-7(10)9-6-4-12-3-5(6)8/h5-6H,2-4,8H2,1H3,(H,9,10)
InChIKeyPUWKWTQAYXTMIZ-UHFFFAOYSA-N
XLogP0.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-Amino-4-ethoxycarbonylaminotetrahydro-thiophene
CID 129799637
2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate
CID 103713727
2-(trimethyl-lambda4-sulfanyl)ethyl N-[(3R)-pyrrolidin-3-yl]carbamate
CID 126659044
2-(trimethyl-lambda4-sulfanyl)ethyl N-pyrrolidin-3-ylcarbamate
CID 144322776
[(3R,4R)-4-(ethoxycarbonylamino)-1,1-dioxothiolan-3-yl]azanium
CID 2046233
ethyl N-[(3R,4R)-4-amino-1,1-dioxothiolan-3-yl]carbamate
CID 2046234
Ethyl (4-amino-1,1-dioxidotetrahydro-3-thienyl)carbamate
CID 2772242
ethoxy-N-[4-(ethoxycarbonylamino)-1,1-dioxothiolan-3-yl]carboxamide
CID 5209764
ethyl N-[(3S,4S)-4-amino-1,1-dioxothiolan-3-yl]carbamate
CID 6358502
[(3S,4R)-4-(ethoxycarbonylamino)-1,1-dioxothiolan-3-yl]azanium
CID 7012067
ethyl N-[(3R,4S)-4-amino-1,1-dioxothiolan-3-yl]carbamate
CID 7012068
[(3S,4S)-4-(ethoxycarbonylamino)-1,1-dioxothiolan-3-yl]azanium
CID 7058456

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-aminothiolan-3-yl)carbamate?
The IUPAC name of ethyl N-(4-aminothiolan-3-yl)carbamate (CID 45119393) is ethyl N-(4-aminothiolan-3-yl)carbamate.
What is the SMILES notation for ethyl N-(4-aminothiolan-3-yl)carbamate?
The canonical SMILES for ethyl N-(4-aminothiolan-3-yl)carbamate is CCOC(=O)NC1CSCC1N.
What is the InChIKey of ethyl N-(4-aminothiolan-3-yl)carbamate?
The InChIKey is PUWKWTQAYXTMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-2-11-7(10)9-6-4-12-3-5(6)8/h5-6H,2-4,8H2,1H3,(H,9,10).
What are the key properties of ethyl N-(4-aminothiolan-3-yl)carbamate?
ethyl N-(4-aminothiolan-3-yl)carbamate has a molecular weight of 190.27 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-aminothiolan-3-yl)carbamate is sourced from PubChem (CID 45119393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).