3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one

C11H21NOS — CID 62051187

IUPAC3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one
SMILESCN(CC(=O)C(C)(C)C)C1CCSC1
InChIInChI=1S/C11H21NOS/c1-11(2,3)10(13)7-12(4)9-5-6-14-8-9/h9H,5-8H2,1-4H3
InChIKeyFASVPLFVVRSAAO-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.04
Rot. Bonds3

About 3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one

3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one (PubChem CID 62051187) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one
PubChem CID62051187
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one
SMILESCN(CC(=O)C(C)(C)C)C1CCSC1
InChIInChI=1S/C11H21NOS/c1-11(2,3)10(13)7-12(4)9-5-6-14-8-9/h9H,5-8H2,1-4H3
InChIKeyFASVPLFVVRSAAO-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,2-dimethyl-4-[methyl(thiolan-3-yl)amino]-3-oxobutanoate
CID 113369715
1-[methyl(thiolan-3-yl)amino]pentan-2-one
CID 62043336
2-[methyl(thiolan-3-yl)amino]-1-phenylethanone
CID 62050593
2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol
CID 62271283
2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide
CID 103429486
N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456
3-hydroxy-4-[methyl(thiolan-3-yl)amino]butanoic acid
CID 82776779
6-[methyl(thiolan-3-yl)amino]hexan-3-one
CID 106801314
1-N,3,3-trimethyl-1-N-(thiolan-3-yl)butane-1,2-diamine
CID 112555920
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051579
N,2-dimethyl-2-(methylamino)-N-(thiolan-3-yl)propanamide
CID 62836193
1-N,2,2-trimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine
CID 66454701

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one?
The IUPAC name of 3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one (CID 62051187) is 3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one is CN(CC(=O)C(C)(C)C)C1CCSC1.
What is the InChIKey of 3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one?
The InChIKey is FASVPLFVVRSAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-11(2,3)10(13)7-12(4)9-5-6-14-8-9/h9H,5-8H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one?
3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one has a molecular weight of 215.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one is sourced from PubChem (CID 62051187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).