2-(thiophen-2-ylmethylamino)ethyl carbamate

C8H12N2O2S — CID 83211121

IUPAC2-(thiophen-2-ylmethylamino)ethyl carbamate
SMILESNC(=O)OCCNCc1cccs1
InChIInChI=1S/C8H12N2O2S/c9-8(11)12-4-3-10-6-7-2-1-5-13-7/h1-2,5,10H,3-4,6H2,(H2,9,11)
InChIKeyVQVNCNQIZQGJQL-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.93
Rot. Bonds5

About 2-(thiophen-2-ylmethylamino)ethyl carbamate

2-(thiophen-2-ylmethylamino)ethyl carbamate (PubChem CID 83211121) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylamino)ethyl carbamate
PubChem CID83211121
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-(thiophen-2-ylmethylamino)ethyl carbamate
SMILESNC(=O)OCCNCc1cccs1
InChIInChI=1S/C8H12N2O2S/c9-8(11)12-4-3-10-6-7-2-1-5-13-7/h1-2,5,10H,3-4,6H2,(H2,9,11)
InChIKeyVQVNCNQIZQGJQL-UHFFFAOYSA-N
XLogP0.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-(thiophen-2-ylmethylamino)ethoxy]phenyl]benzamide
CID 59316398
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 62565169
2-methyl-3-(thiophen-2-ylmethylamino)propanamide
CID 43312177
2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39361592
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
2-(2-methylbutan-2-yloxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62597441
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 97064689
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride
CID 17213960

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylamino)ethyl carbamate?
The IUPAC name of 2-(thiophen-2-ylmethylamino)ethyl carbamate (CID 83211121) is 2-(thiophen-2-ylmethylamino)ethyl carbamate.
What is the SMILES notation for 2-(thiophen-2-ylmethylamino)ethyl carbamate?
The canonical SMILES for 2-(thiophen-2-ylmethylamino)ethyl carbamate is NC(=O)OCCNCc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylmethylamino)ethyl carbamate?
The InChIKey is VQVNCNQIZQGJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c9-8(11)12-4-3-10-6-7-2-1-5-13-7/h1-2,5,10H,3-4,6H2,(H2,9,11).
What are the key properties of 2-(thiophen-2-ylmethylamino)ethyl carbamate?
2-(thiophen-2-ylmethylamino)ethyl carbamate has a molecular weight of 200.26 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylamino)ethyl carbamate is sourced from PubChem (CID 83211121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).