methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate

C10H15NO2S — CID 115641171

IUPACmethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
SMILESCOC(=O)NC(C)Cc1ccc(C)s1
InChIInChI=1S/C10H15NO2S/c1-7(11-10(12)13-3)6-9-5-4-8(2)14-9/h4-5,7H,6H2,1-3H3,(H,11,12)
InChIKeyNQRCOLXFHFSYJB-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.34
Rot. Bonds3

About methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate

methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate (PubChem CID 115641171) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
PubChem CID115641171
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Namemethyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
SMILESCOC(=O)NC(C)Cc1ccc(C)s1
InChIInChI=1S/C10H15NO2S/c1-7(11-10(12)13-3)6-9-5-4-8(2)14-9/h4-5,7H,6H2,1-3H3,(H,11,12)
InChIKeyNQRCOLXFHFSYJB-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928
N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide
CID 78997668
(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79012678
2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 114344434
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79813438
methyl 2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]butanoate
CID 113292625
(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide
CID 104903571
tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate
CID 83980493
methyl 2-acetamido-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propanoate
CID 103254230
4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
(2R)-3,3-dimethyl-2-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 103928081
2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride
CID 120592916

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate?
The IUPAC name of methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate (CID 115641171) is methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate is COC(=O)NC(C)Cc1ccc(C)s1.
What is the InChIKey of methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate?
The InChIKey is NQRCOLXFHFSYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7(11-10(12)13-3)6-9-5-4-8(2)14-9/h4-5,7H,6H2,1-3H3,(H,11,12).
What are the key properties of methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate?
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate has a molecular weight of 213.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate is sourced from PubChem (CID 115641171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).