2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide

C11H22N2OS — CID 65225799

IUPAC2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide
SMILESCCCC(CN)C(=O)N(C)C1CCSC1
InChIInChI=1S/C11H22N2OS/c1-3-4-9(7-12)11(14)13(2)10-5-6-15-8-10/h9-10H,3-8,12H2,1-2H3
InChIKeyNHBDJKWZMAVAOD-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.33
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide

2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide (PubChem CID 65225799) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide
PubChem CID65225799
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide
SMILESCCCC(CN)C(=O)N(C)C1CCSC1
InChIInChI=1S/C11H22N2OS/c1-3-4-9(7-12)11(14)13(2)10-5-6-15-8-10/h9-10H,3-8,12H2,1-2H3
InChIKeyNHBDJKWZMAVAOD-UHFFFAOYSA-N
XLogP1.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide (CID 65225799) is 2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide is CCCC(CN)C(=O)N(C)C1CCSC1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide?
The InChIKey is NHBDJKWZMAVAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-4-9(7-12)11(14)13(2)10-5-6-15-8-10/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide?
2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide has a molecular weight of 230.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide is sourced from PubChem (CID 65225799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).