2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate

C10H12N2O2S — CID 14015035

IUPAC2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
SMILESCC(C)COC(=O)Nc1sccc1C#N
InChIInChI=1S/C10H12N2O2S/c1-7(2)6-14-10(13)12-9-8(5-11)3-4-15-9/h3-4,7H,6H2,1-2H3,(H,12,13)
InChIKeyYDNWCTCOCIADOS-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.82
Rot. Bonds3

About 2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate

2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate (PubChem CID 14015035) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
PubChem CID14015035
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate
SMILESCC(C)COC(=O)Nc1sccc1C#N
InChIInChI=1S/C10H12N2O2S/c1-7(2)6-14-10(13)12-9-8(5-11)3-4-15-9/h3-4,7H,6H2,1-2H3,(H,12,13)
InChIKeyYDNWCTCOCIADOS-UHFFFAOYSA-N
XLogP2.82
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide
CID 61258756
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605028
2-methylpropyl N-(4-amino-2-cyanophenyl)carbamate
CID 43551360
2-amino-N-(3-cyanothiophen-2-yl)pentanamide
CID 61259478
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806413
2-methylpropyl N-(4-cyano-1H-pyrazol-5-yl)carbamate
CID 79504414
N-(3-cyanothiophen-2-yl)-2,6-dimethoxybenzamide
CID 7192360
2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide
CID 65228936
N-(3-cyanothiophen-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
CID 111107846

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate (CID 14015035) is 2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate is CC(C)COC(=O)Nc1sccc1C#N.
What is the InChIKey of 2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate?
The InChIKey is YDNWCTCOCIADOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-7(2)6-14-10(13)12-9-8(5-11)3-4-15-9/h3-4,7H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate?
2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate has a molecular weight of 224.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(3-cyanothiophen-2-yl)carbamate is sourced from PubChem (CID 14015035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).