(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide

C13H20N2OS — CID 61168167

IUPAC(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
SMILESCC(C)[C@H](N)C(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H20N2OS/c1-9(2)12(14)13(16)15(11-3-4-11)7-10-5-6-17-8-10/h5-6,8-9,11-12H,3-4,7,14H2,1-2H3/t12-/m0/s1
InChIKeyFKGNHSRLHZCJRG-LBPRGKRZSA-N
MW252.38 g/mol
LogP2.22
Rot. Bonds5

About (2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide

(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide (PubChem CID 61168167) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
PubChem CID61168167
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
SMILESCC(C)[C@H](N)C(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C13H20N2OS/c1-9(2)12(14)13(16)15(11-3-4-11)7-10-5-6-17-8-10/h5-6,8-9,11-12H,3-4,7,14H2,1-2H3/t12-/m0/s1
InChIKeyFKGNHSRLHZCJRG-LBPRGKRZSA-N
XLogP2.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
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
(2R)-2-amino-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 61168373
2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 61167971
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N-(thiophen-3-ylmethyl)pentanamide
CID 76924821
2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide
CID 61439057
2-amino-N-[(6-bromo-3-pyridinyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 77144549
2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 77144458
2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 54870992
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide (CID 61168167) is (2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide is CC(C)[C@H](N)C(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide?
The InChIKey is FKGNHSRLHZCJRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)12(14)13(16)15(11-3-4-11)7-10-5-6-17-8-10/h5-6,8-9,11-12H,3-4,7,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide?
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide has a molecular weight of 252.38 g/mol, XLogP of 2.22, 5 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-3-methyl-N-(thiophen-3-ylmethyl)butanamide is sourced from PubChem (CID 61168167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).