(2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide

C12H20N2OS — CID 46984908

IUPAC(2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCCCCN(Cc1ccsc1)C(=O)[C@H](C)N
InChIInChI=1S/C12H20N2OS/c1-3-4-6-14(12(15)10(2)13)8-11-5-7-16-9-11/h5,7,9-10H,3-4,6,8,13H2,1-2H3/t10-/m0/s1
InChIKeyQJQPHWBGRJNOIF-JTQLQIEISA-N
MW240.37 g/mol
LogP2.22
Rot. Bonds6

About (2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide

(2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 46984908) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide
PubChem CID46984908
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCCCCN(Cc1ccsc1)C(=O)[C@H](C)N
InChIInChI=1S/C12H20N2OS/c1-3-4-6-14(12(15)10(2)13)8-11-5-7-16-9-11/h5,7,9-10H,3-4,6,8,13H2,1-2H3/t10-/m0/s1
InChIKeyQJQPHWBGRJNOIF-JTQLQIEISA-N
XLogP2.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
N-butyl-N-ethyl-3-thiophen-3-ylpropanamide
CID 86978752
N-butyl-2-[(3S)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 126451018
2-amino-N,N-dihexylpropanamide
CID 54872127
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-N-propyl-N-(thiophen-3-ylmethyl)acetamide
CID 97285779
N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide
CID 50963964
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
ethyl 2-[methyl(thiophen-3-ylmethyl)amino]butanoate
CID 64660856
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide
CID 119314161
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167
methyl 3-[ethoxycarbonyl(thiophen-3-ylmethyl)amino]propanoate
CID 58293749

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide (CID 46984908) is (2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide is CCCCN(Cc1ccsc1)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is QJQPHWBGRJNOIF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-4-6-14(12(15)10(2)13)8-11-5-7-16-9-11/h5,7,9-10H,3-4,6,8,13H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide?
(2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 240.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 46984908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).