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

C10H20N2OS — CID 107296097

IUPAC3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
SMILESCC(C)(N)CC(=O)NCC1CCSC1
InChIInChI=1S/C10H20N2OS/c1-10(2,11)5-9(13)12-6-8-3-4-14-7-8/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyUDRJGFVREDZMHO-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.98
Rot. Bonds4

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

3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide (PubChem CID 107296097) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
PubChem CID107296097
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
SMILESCC(C)(N)CC(=O)NCC1CCSC1
InChIInChI=1S/C10H20N2OS/c1-10(2,11)5-9(13)12-6-8-3-4-14-7-8/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyUDRJGFVREDZMHO-UHFFFAOYSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thiolan-3-ylmethyl)butanamide
CID 107298413
4-[[(3-amino-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524780
3-amino-3-cyclopropyl-N-(thiolan-3-ylmethyl)propanamide
CID 107296077
3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide
CID 107413266
2-amino-N-[2-oxo-2-(thiolan-3-ylmethylamino)ethyl]acetamide
CID 107296090
4-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296156
4-hydroxy-N-(thiolan-3-ylmethyl)butanamide
CID 107298400
N-(thiolan-3-ylmethyl)prop-2-enamide
CID 107295518
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095
N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 107296147
2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid
CID 107297567
2-[tert-butyl(thiolan-3-ylmethylcarbamoyl)amino]acetic acid
CID 107297379

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide (CID 107296097) is 3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide is CC(C)(N)CC(=O)NCC1CCSC1.
What is the InChIKey of 3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
The InChIKey is UDRJGFVREDZMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10(2,11)5-9(13)12-6-8-3-4-14-7-8/h8H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide?
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide has a molecular weight of 216.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide is sourced from PubChem (CID 107296097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).