(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide

C11H22N2OS — CID 107296121

IUPAC(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCC1CCSC1
InChIInChI=1S/C11H22N2OS/c1-2-3-4-10(12)11(14)13-7-9-5-6-15-8-9/h9-10H,2-8,12H2,1H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyUOWSFUWMQMSPRM-AXDSSHIGSA-N
MW230.38 g/mol
LogP1.37
Rot. Bonds6

About (2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide

(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide (PubChem CID 107296121) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
PubChem CID107296121
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCC1CCSC1
InChIInChI=1S/C11H22N2OS/c1-2-3-4-10(12)11(14)13-7-9-5-6-15-8-9/h9-10H,2-8,12H2,1H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyUOWSFUWMQMSPRM-AXDSSHIGSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003
2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide
CID 107296139
2-amino-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 106134012
2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 103950314
(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide
CID 113304850
2-bromo-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107295512
(2S)-2-amino-N-(2-cyclopropylethyl)hexanamide
CID 103831775
N-butyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107295770
(2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide
CID 113304830
2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296178
N-(thiolan-3-ylmethyl)butanamide
CID 107298413
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)hexanamide
CID 63684003

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide (CID 107296121) is (2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide is CCCC[C@H](N)C(=O)NCC1CCSC1.
What is the InChIKey of (2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide?
The InChIKey is UOWSFUWMQMSPRM-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-2-3-4-10(12)11(14)13-7-9-5-6-15-8-9/h9-10H,2-8,12H2,1H3,(H,13,14)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide?
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide has a molecular weight of 230.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide is sourced from PubChem (CID 107296121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).