propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate

C11H17NO2S — CID 116656798

IUPACpropan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate
SMILESCCc1ccsc1CNC(=O)OC(C)C
InChIInChI=1S/C11H17NO2S/c1-4-9-5-6-15-10(9)7-12-11(13)14-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,12,13)
InChIKeyGIKGFPGKDJXZGT-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.95
Rot. Bonds4

About propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate

propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate (PubChem CID 116656798) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate
PubChem CID116656798
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Namepropan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate
SMILESCCc1ccsc1CNC(=O)OC(C)C
InChIInChI=1S/C11H17NO2S/c1-4-9-5-6-15-10(9)7-12-11(13)14-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,12,13)
InChIKeyGIKGFPGKDJXZGT-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
CID 115686537
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide
CID 81079297
N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71972313
2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 114328918
(2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide
CID 103797879
3-[(3-ethylthiophen-2-yl)methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820650
N-[(3-ethylthiophen-2-yl)methyl]-3-phenyl-2-sulfanylpropanamide
CID 107032562
1-[(3-ethylthiophen-2-yl)methyl]-3-(1-methoxypropan-2-yl)thiourea
CID 113254036
5-[(3-ethylthiophen-2-yl)methylcarbamoylamino]hexanoic acid
CID 82848106
5-[(3-ethylthiophen-2-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 104686823
3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide
CID 81092223
4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide
CID 102851859

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate?
The IUPAC name of propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate (CID 116656798) is propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate is CCc1ccsc1CNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate?
The InChIKey is GIKGFPGKDJXZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-4-9-5-6-15-10(9)7-12-11(13)14-8(2)3/h5-6,8H,4,7H2,1-3H3,(H,12,13).
What are the key properties of propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate?
propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate has a molecular weight of 227.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 116656798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).