(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide

C11H22N2OS — CID 107296003

IUPAC(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1CCSC1
InChIInChI=1S/C11H22N2OS/c1-8(2)5-10(12)11(14)13-6-9-3-4-15-7-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyNSUTYSQTURNDBH-AXDSSHIGSA-N
MW230.38 g/mol
LogP1.23
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide

(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide (PubChem CID 107296003) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
PubChem CID107296003
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1CCSC1
InChIInChI=1S/C11H22N2OS/c1-8(2)5-10(12)11(14)13-6-9-3-4-15-7-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyNSUTYSQTURNDBH-AXDSSHIGSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296028
2-bromo-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107295512
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
CID 107296121
2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296178
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride
CID 119788294
(2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide
CID 66004860
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296189
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide
CID 107296139
3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide
CID 107296077
2-methyl-N-(thian-4-ylmethyl)propanamide
CID 115625101

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide (CID 107296003) is (2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide is CC(C)C[C@H](N)C(=O)NCC1CCSC1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide?
The InChIKey is NSUTYSQTURNDBH-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8(2)5-10(12)11(14)13-6-9-3-4-15-7-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide?
(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide has a molecular weight of 230.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide is sourced from PubChem (CID 107296003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).