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

C10H16N2OS — CID 8925628

IUPAC(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
SMILESCNC(=O)[C@H](C)N(C)Cc1ccsc1
InChIInChI=1S/C10H16N2OS/c1-8(10(13)11-2)12(3)6-9-4-5-14-7-9/h4-5,7-8H,6H2,1-3H3,(H,11,13)/t8-/m0/s1
InChIKeyPFTTWWJUQGCRMH-QMMMGPOBSA-N
MW212.32 g/mol
LogP1.31
Rot. Bonds4

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

(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide (PubChem CID 8925628) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
PubChem CID8925628
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
SMILESCNC(=O)[C@H](C)N(C)Cc1ccsc1
InChIInChI=1S/C10H16N2OS/c1-8(10(13)11-2)12(3)6-9-4-5-14-7-9/h4-5,7-8H,6H2,1-3H3,(H,11,13)/t8-/m0/s1
InChIKeyPFTTWWJUQGCRMH-QMMMGPOBSA-N
XLogP1.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186
methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate
CID 8925835
(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 9054773
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 25476161
methyl 2-methyl-3-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 79407741
(2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
CID 95125483
2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
CID 50960177
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9054681
(2S)-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 8594903
2-[methyl(thiophen-3-ylmethyl)amino]propanenitrile
CID 60670408
1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421195
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide?
The IUPAC name of (2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide (CID 8925628) is (2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide.
What is the SMILES notation for (2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide?
The canonical SMILES for (2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide is CNC(=O)[C@H](C)N(C)Cc1ccsc1.
What is the InChIKey of (2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide?
The InChIKey is PFTTWWJUQGCRMH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(10(13)11-2)12(3)6-9-4-5-14-7-9/h4-5,7-8H,6H2,1-3H3,(H,11,13)/t8-/m0/s1.
What are the key properties of (2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide?
(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide has a molecular weight of 212.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide is sourced from PubChem (CID 8925628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).