1-[methyl(thiolan-3-yl)amino]pentan-2-one

C10H19NOS — CID 62043336

IUPAC1-[methyl(thiolan-3-yl)amino]pentan-2-one
SMILESCCCC(=O)CN(C)C1CCSC1
InChIInChI=1S/C10H19NOS/c1-3-4-10(12)7-11(2)9-5-6-13-8-9/h9H,3-8H2,1-2H3
InChIKeyQCOHKWHVSUZZEE-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.79
Rot. Bonds5

About 1-[methyl(thiolan-3-yl)amino]pentan-2-one

1-[methyl(thiolan-3-yl)amino]pentan-2-one (PubChem CID 62043336) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-[methyl(thiolan-3-yl)amino]pentan-2-one.

Molecular Properties

Compound Name1-[methyl(thiolan-3-yl)amino]pentan-2-one
PubChem CID62043336
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-[methyl(thiolan-3-yl)amino]pentan-2-one
SMILESCCCC(=O)CN(C)C1CCSC1
InChIInChI=1S/C10H19NOS/c1-3-4-10(12)7-11(2)9-5-6-13-8-9/h9H,3-8H2,1-2H3
InChIKeyQCOHKWHVSUZZEE-UHFFFAOYSA-N
XLogP1.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one
CID 62051187
6-[methyl(thiolan-3-yl)amino]hexan-3-one
CID 106801314
2-[methyl(thiolan-3-yl)amino]-1-phenylethanone
CID 62050593
ethyl 2,2-dimethyl-4-[methyl(thiolan-3-yl)amino]-3-oxobutanoate
CID 113369715
N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456
2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide
CID 65225799
1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051384
ethyl 2-[methyl(thiolan-3-yl)amino]butanoate
CID 64660445
3-hydroxy-4-[methyl(thiolan-3-yl)amino]butanoic acid
CID 82776779
4-[methyl(thiolan-3-yl)amino]pentanoic acid
CID 62215066
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051579
ethyl (E)-4-[methyl(thiolan-3-yl)amino]but-2-enoate
CID 80549345

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(thiolan-3-yl)amino]pentan-2-one?
The IUPAC name of 1-[methyl(thiolan-3-yl)amino]pentan-2-one (CID 62043336) is 1-[methyl(thiolan-3-yl)amino]pentan-2-one.
What is the SMILES notation for 1-[methyl(thiolan-3-yl)amino]pentan-2-one?
The canonical SMILES for 1-[methyl(thiolan-3-yl)amino]pentan-2-one is CCCC(=O)CN(C)C1CCSC1.
What is the InChIKey of 1-[methyl(thiolan-3-yl)amino]pentan-2-one?
The InChIKey is QCOHKWHVSUZZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-3-4-10(12)7-11(2)9-5-6-13-8-9/h9H,3-8H2,1-2H3.
What are the key properties of 1-[methyl(thiolan-3-yl)amino]pentan-2-one?
1-[methyl(thiolan-3-yl)amino]pentan-2-one has a molecular weight of 201.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(thiolan-3-yl)amino]pentan-2-one is sourced from PubChem (CID 62043336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).