(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide

C13H20N2OS — CID 93369625

IUPAC(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
SMILESCCC[C@H](N)C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H20N2OS/c1-2-4-12(14)13(16)15(10-6-7-10)9-11-5-3-8-17-11/h3,5,8,10,12H,2,4,6-7,9,14H2,1H3/t12-/m0/s1
InChIKeyXGCPYGPONDBOSJ-LBPRGKRZSA-N
MW252.38 g/mol
LogP2.37
Rot. Bonds6

About (2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide

(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide (PubChem CID 93369625) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
PubChem CID93369625
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
SMILESCCC[C@H](N)C(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H20N2OS/c1-2-4-12(14)13(16)15(10-6-7-10)9-11-5-3-8-17-11/h3,5,8,10,12H,2,4,6-7,9,14H2,1H3/t12-/m0/s1
InChIKeyXGCPYGPONDBOSJ-LBPRGKRZSA-N
XLogP2.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 113353364
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309
(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
CID 93375654
(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
CID 93370556
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
CID 119298871
2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223201
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide
CID 63577701
1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030379
N-cyclopropyl-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 116654649
(2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 99873303
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide (CID 93369625) is (2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide is CCC[C@H](N)C(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide?
The InChIKey is XGCPYGPONDBOSJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-4-12(14)13(16)15(10-6-7-10)9-11-5-3-8-17-11/h3,5,8,10,12H,2,4,6-7,9,14H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide?
(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide has a molecular weight of 252.38 g/mol, XLogP of 2.37, 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-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide is sourced from PubChem (CID 93369625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).