2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide

C12H24N2OS — CID 107296028

IUPAC2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
SMILESCC(C)CC(CN)C(=O)NCC1CCSC1
InChIInChI=1S/C12H24N2OS/c1-9(2)5-11(6-13)12(15)14-7-10-3-4-16-8-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyWCXPSNPGCPMQEJ-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.48
Rot. Bonds6

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

2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide (PubChem CID 107296028) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
PubChem CID107296028
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
SMILESCC(C)CC(CN)C(=O)NCC1CCSC1
InChIInChI=1S/C12H24N2OS/c1-9(2)5-11(6-13)12(15)14-7-10-3-4-16-8-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyWCXPSNPGCPMQEJ-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.48
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-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296178
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
CID 106135774
4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296156
2-bromo-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107295512
2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide
CID 115740731
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
CID 107296121
2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296189
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
2-methyl-N-(thian-4-ylmethyl)propanamide
CID 115625101
2-methyl-3-(thiolan-3-ylmethylcarbamoylamino)butanoic acid
CID 107297388

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide (CID 107296028) is 2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide is CC(C)CC(CN)C(=O)NCC1CCSC1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide?
The InChIKey is WCXPSNPGCPMQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-9(2)5-11(6-13)12(15)14-7-10-3-4-16-8-10/h9-11H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide?
2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide has a molecular weight of 244.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide is sourced from PubChem (CID 107296028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).