2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide

C11H22N2OS — CID 107296139

IUPAC2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide
SMILESCCCC(CN)C(=O)NCC1CCSC1
InChIInChI=1S/C11H22N2OS/c1-2-3-10(6-12)11(14)13-7-9-4-5-15-8-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyLSVCHYKMADBTGH-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.23
Rot. Bonds6

About 2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide

2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide (PubChem CID 107296139) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide
PubChem CID107296139
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide
SMILESCCCC(CN)C(=O)NCC1CCSC1
InChIInChI=1S/C11H22N2OS/c1-2-3-10(6-12)11(14)13-7-9-4-5-15-8-9/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyLSVCHYKMADBTGH-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
CID 107296121
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]pentanamide
CID 106135811
2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296178
(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003
4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296156
N-(thiolan-3-ylmethyl)butanamide
CID 107298413
2-bromo-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107295512
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79358922
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 106024201
1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea
CID 107295561
4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107295920

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide (CID 107296139) is 2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide is CCCC(CN)C(=O)NCC1CCSC1.
What is the InChIKey of 2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide?
The InChIKey is LSVCHYKMADBTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-2-3-10(6-12)11(14)13-7-9-4-5-15-8-9/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide?
2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide has a molecular weight of 230.38 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide is sourced from PubChem (CID 107296139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).