(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide

C11H19N3OS — CID 119850709

IUPAC(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
SMILESC[C@H](N)C(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C11H19N3OS/c1-8(12)11(15)13-6-10(14(2)3)9-4-5-16-7-9/h4-5,7-8,10H,6,12H2,1-3H3,(H,13,15)/t8-,10?/m0/s1
InChIKeyRCGDVSRWXRKGOB-PEHGTWAWSA-N
MW241.36 g/mol
LogP0.81
Rot. Bonds5

About (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide

(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide (PubChem CID 119850709) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
PubChem CID119850709
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
SMILESC[C@H](N)C(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C11H19N3OS/c1-8(12)11(15)13-6-10(14(2)3)9-4-5-16-7-9/h4-5,7-8,10H,6,12H2,1-3H3,(H,13,15)/t8-,10?/m0/s1
InChIKeyRCGDVSRWXRKGOB-PEHGTWAWSA-N
XLogP0.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
CID 16932111
2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460165
(2R)-2-benzylsulfanyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 51958555
N-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 43060758
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-phenoxy-2-phenylacetamide
CID 55761482
(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
CID 119831113
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,3-diphenylpropanamide
CID 32631467
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2-fluorophenyl)acetamide
CID 32631324
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 42549056

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide (CID 119850709) is (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide is C[C@H](N)C(=O)NCC(c1ccsc1)N(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide?
The InChIKey is RCGDVSRWXRKGOB-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(12)11(15)13-6-10(14(2)3)9-4-5-16-7-9/h4-5,7-8,10H,6,12H2,1-3H3,(H,13,15)/t8-,10?/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide?
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide has a molecular weight of 241.36 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide is sourced from PubChem (CID 119850709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).