(2S)-N-methyl-2-(thiophen-2-ylamino)propanamide

C8H12N2OS — CID 54108393

IUPAC(2S)-N-methyl-2-(thiophen-2-ylamino)propanamide
SMILESCNC(=O)[C@H](C)Nc1cccs1
InChIInChI=1S/C8H12N2OS/c1-6(8(11)9-2)10-7-4-3-5-12-7/h3-6,10H,1-2H3,(H,9,11)/t6-/m0/s1
InChIKeyNFIZIQCPSWIZKT-LURJTMIESA-N
MW184.26 g/mol
LogP1.29
Rot. Bonds3

About (2S)-N-methyl-2-(thiophen-2-ylamino)propanamide

(2S)-N-methyl-2-(thiophen-2-ylamino)propanamide (PubChem CID 54108393) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is (2S)-N-methyl-2-(thiophen-2-ylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-(thiophen-2-ylamino)propanamide
PubChem CID54108393
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name(2S)-N-methyl-2-(thiophen-2-ylamino)propanamide
SMILESCNC(=O)[C@H](C)Nc1cccs1
InChIInChI=1S/C8H12N2OS/c1-6(8(11)9-2)10-7-4-3-5-12-7/h3-6,10H,1-2H3,(H,9,11)/t6-/m0/s1
InChIKeyNFIZIQCPSWIZKT-LURJTMIESA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Isopropyl-3-(thiophen-2-yl)urea
CID 3245119
3-acetylamino-N-2-thienylpropanamide
CID 139591621
Propionamide, N-(2-(diethylamino)propyl)-N-2-thienyl-, hydrochloride
CID 3031107
Acetamide, N-(2-(acetylamino)-3-thienyl)-N-butyl-
CID 3078777
Acetamide, N-(2-(acetylamino)-3-thienyl)-N-(2-(dimethylamino)ethyl)-, monohydrochloride
CID 3078787
Acetamide, N-(2-(acetylamino)-3-thienyl)-N-(2-(diethylamino)ethyl)-, monohydrochloride
CID 3078791
(2S)-2-(thiophen-2-ylamino)propanoic acid
CID 18339629
2-Thienyl-DL-alanine
CID 18378025
N-(thiophen-2-yl)pivalamide
CID 14842268
(5S)-5-methyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 131070623
(5S)-5-(2-methylsulfanylethyl)-3-thiophen-2-ylimidazolidine-2,4-dione
CID 134856919
N-(2-(Diethylamino)propyl)-N-2-thienylpropionamide
CID 3031106

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-(thiophen-2-ylamino)propanamide?
The IUPAC name of (2S)-N-methyl-2-(thiophen-2-ylamino)propanamide (CID 54108393) is (2S)-N-methyl-2-(thiophen-2-ylamino)propanamide.
What is the SMILES notation for (2S)-N-methyl-2-(thiophen-2-ylamino)propanamide?
The canonical SMILES for (2S)-N-methyl-2-(thiophen-2-ylamino)propanamide is CNC(=O)[C@H](C)Nc1cccs1.
What is the InChIKey of (2S)-N-methyl-2-(thiophen-2-ylamino)propanamide?
The InChIKey is NFIZIQCPSWIZKT-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6(8(11)9-2)10-7-4-3-5-12-7/h3-6,10H,1-2H3,(H,9,11)/t6-/m0/s1.
What are the key properties of (2S)-N-methyl-2-(thiophen-2-ylamino)propanamide?
(2S)-N-methyl-2-(thiophen-2-ylamino)propanamide has a molecular weight of 184.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-(thiophen-2-ylamino)propanamide is sourced from PubChem (CID 54108393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).