2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide

C11H22N2OS — CID 107296178

IUPAC2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide
SMILESCC(C)C(CN)C(=O)NCC1CCSC1
InChIInChI=1S/C11H22N2OS/c1-8(2)10(5-12)11(14)13-6-9-3-4-15-7-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyOLNXPFDEXPIFCM-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.09
Rot. Bonds5

About 2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide

2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide (PubChem CID 107296178) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide
PubChem CID107296178
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide
SMILESCC(C)C(CN)C(=O)NCC1CCSC1
InChIInChI=1S/C11H22N2OS/c1-8(2)10(5-12)11(14)13-6-9-3-4-15-7-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyOLNXPFDEXPIFCM-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
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-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003
2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide
CID 107296139
4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296156
2-cyano-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296189
2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 62822757
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
CID 107296121
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
3-methyl-2-(thiolan-3-ylmethyl)butanoic acid
CID 115022743

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide (CID 107296178) is 2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide is CC(C)C(CN)C(=O)NCC1CCSC1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
The InChIKey is OLNXPFDEXPIFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8(2)10(5-12)11(14)13-6-9-3-4-15-7-9/h8-10H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide has a molecular weight of 230.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide is sourced from PubChem (CID 107296178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).