(2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide

C13H26N2OS — CID 99850045

IUPAC(2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide
SMILESCS[C@H]1CCC[C@H]1N(C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H26N2OS/c1-13(2,3)11(14)12(16)15(4)9-7-6-8-10(9)17-5/h9-11H,6-8,14H2,1-5H3/t9-,10+,11-/m1/s1
InChIKeyZXKVFXIJUZGDAS-OUAUKWLOSA-N
MW258.43 g/mol
LogP2.10
Rot. Bonds3

About (2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide

(2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide (PubChem CID 99850045) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is (2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide
PubChem CID99850045
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name(2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide
SMILESCS[C@H]1CCC[C@H]1N(C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H26N2OS/c1-13(2,3)11(14)12(16)15(4)9-7-6-8-10(9)17-5/h9-11H,6-8,14H2,1-5H3/t9-,10+,11-/m1/s1
InChIKeyZXKVFXIJUZGDAS-OUAUKWLOSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopentyl-N,3,3-trimethylbutanamide
CID 76893337
(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
CID 113353538
(2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 103929164
2-amino-N-(1,3-dioxolan-2-yl)-N,3,3-trimethylbutanamide
CID 173122588
(2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide
CID 96553420
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 76893547
2-acetamido-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]acetamide
CID 96519739
(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 113353384
2-amino-N,3,3-trimethylbutanehydrazide
CID 116848874
(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride
CID 119704436
2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide
CID 23595876
(2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
CID 102631964

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide?
The IUPAC name of (2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide (CID 99850045) is (2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide?
The canonical SMILES for (2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide is CS[C@H]1CCC[C@H]1N(C)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide?
The InChIKey is ZXKVFXIJUZGDAS-OUAUKWLOSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-13(2,3)11(14)12(16)15(4)9-7-6-8-10(9)17-5/h9-11H,6-8,14H2,1-5H3/t9-,10+,11-/m1/s1.
What are the key properties of (2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide?
(2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide has a molecular weight of 258.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3,3-trimethyl-N-[(1R,2S)-2-methylsulfanylcyclopentyl]butanamide is sourced from PubChem (CID 99850045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).