4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide

C10H20N2OS — CID 107296156

IUPAC4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
SMILESCC(CN)CC(=O)NCC1CCSC1
InChIInChI=1S/C10H20N2OS/c1-8(5-11)4-10(13)12-6-9-2-3-14-7-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyJIQQBFKXYUNGKE-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.84
Rot. Bonds5

About 4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide

4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide (PubChem CID 107296156) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
PubChem CID107296156
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
SMILESCC(CN)CC(=O)NCC1CCSC1
InChIInChI=1S/C10H20N2OS/c1-8(5-11)4-10(13)12-6-9-2-3-14-7-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyJIQQBFKXYUNGKE-UHFFFAOYSA-N
XLogP0.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide
CID 107296077
4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 81079716
2-(aminomethyl)-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296178
2-(aminomethyl)-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296028
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296097
2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide
CID 107296090
4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 81075819
N-(thiolan-3-ylmethyl)butanamide
CID 107298413
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003
2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide
CID 107296139
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide (CID 107296156) is 4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide is CC(CN)CC(=O)NCC1CCSC1.
What is the InChIKey of 4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
The InChIKey is JIQQBFKXYUNGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(5-11)4-10(13)12-6-9-2-3-14-7-9/h8-9H,2-7,11H2,1H3,(H,12,13).
What are the key properties of 4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide has a molecular weight of 216.35 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide is sourced from PubChem (CID 107296156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).