methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate

C11H16N2O3S — CID 8925835

IUPACmethyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@H](C)N(C)Cc1ccsc1
InChIInChI=1S/C11H16N2O3S/c1-8(10(14)12-11(15)16-3)13(2)6-9-4-5-17-7-9/h4-5,7-8H,6H2,1-3H3,(H,12,14,15)/t8-/m0/s1
InChIKeyWGZVZBVCLCFFIW-QMMMGPOBSA-N
MW256.33 g/mol
LogP1.45
Rot. Bonds4

About methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate

methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate (PubChem CID 8925835) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate
PubChem CID8925835
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate
SMILESCOC(=O)NC(=O)[C@H](C)N(C)Cc1ccsc1
InChIInChI=1S/C11H16N2O3S/c1-8(10(14)12-11(15)16-3)13(2)6-9-4-5-17-7-9/h4-5,7-8H,6H2,1-3H3,(H,12,14,15)/t8-/m0/s1
InChIKeyWGZVZBVCLCFFIW-QMMMGPOBSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 8925628
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186
methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8845343
methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 79407741
(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 9054773
methyl N-[(2R)-2-[(4-ethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8695096
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 25476161
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9054681
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide
CID 61439057
5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79084704

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate?
The IUPAC name of methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate (CID 8925835) is methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate.
What is the SMILES notation for methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate?
The canonical SMILES for methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate is COC(=O)NC(=O)[C@H](C)N(C)Cc1ccsc1.
What is the InChIKey of methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate?
The InChIKey is WGZVZBVCLCFFIW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8(10(14)12-11(15)16-3)13(2)6-9-4-5-17-7-9/h4-5,7-8H,6H2,1-3H3,(H,12,14,15)/t8-/m0/s1.
What are the key properties of methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate?
methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate has a molecular weight of 256.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate is sourced from PubChem (CID 8925835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).