6-[methyl(thiolan-3-yl)amino]hexan-3-one

C11H21NOS — CID 106801314

IUPAC6-[methyl(thiolan-3-yl)amino]hexan-3-one
SMILESCCC(=O)CCCN(C)C1CCSC1
InChIInChI=1S/C11H21NOS/c1-3-11(13)5-4-7-12(2)10-6-8-14-9-10/h10H,3-9H2,1-2H3
InChIKeyYACFWOQBWREODO-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.18
Rot. Bonds6

About 6-[methyl(thiolan-3-yl)amino]hexan-3-one

6-[methyl(thiolan-3-yl)amino]hexan-3-one (PubChem CID 106801314) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 6-[methyl(thiolan-3-yl)amino]hexan-3-one.

Molecular Properties

Compound Name6-[methyl(thiolan-3-yl)amino]hexan-3-one
PubChem CID106801314
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name6-[methyl(thiolan-3-yl)amino]hexan-3-one
SMILESCCC(=O)CCCN(C)C1CCSC1
InChIInChI=1S/C11H21NOS/c1-3-11(13)5-4-7-12(2)10-6-8-14-9-10/h10H,3-9H2,1-2H3
InChIKeyYACFWOQBWREODO-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(thian-3-yl)amino]butanoic acid
CID 65068282
1-[methyl(thiolan-3-yl)amino]pentan-2-one
CID 62043336
N-(3-chloropropyl)-N-methylthiolan-3-amine
CID 61289342
N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine
CID 43296813
N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456
N-(2-amino-5-chlorophenyl)-4-[methyl(thiolan-3-yl)amino]butanamide
CID 43296286
3,3-dimethyl-1-[methyl(thiolan-3-yl)amino]butan-2-one
CID 62051187
2-[methyl(thiolan-3-yl)amino]-1-phenylethanone
CID 62050593
2-[ethyl(thiolan-3-yl)amino]propanoic acid
CID 121203692
N-[3-(2-aminophenoxy)propyl]-N-methylthiolan-3-amine
CID 43296257
4-[[methyl(thiolan-3-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61197986
6-[bis(cyclopropylmethyl)amino]hexan-3-one
CID 106801480

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(thiolan-3-yl)amino]hexan-3-one?
The IUPAC name of 6-[methyl(thiolan-3-yl)amino]hexan-3-one (CID 106801314) is 6-[methyl(thiolan-3-yl)amino]hexan-3-one.
What is the SMILES notation for 6-[methyl(thiolan-3-yl)amino]hexan-3-one?
The canonical SMILES for 6-[methyl(thiolan-3-yl)amino]hexan-3-one is CCC(=O)CCCN(C)C1CCSC1.
What is the InChIKey of 6-[methyl(thiolan-3-yl)amino]hexan-3-one?
The InChIKey is YACFWOQBWREODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-3-11(13)5-4-7-12(2)10-6-8-14-9-10/h10H,3-9H2,1-2H3.
What are the key properties of 6-[methyl(thiolan-3-yl)amino]hexan-3-one?
6-[methyl(thiolan-3-yl)amino]hexan-3-one has a molecular weight of 215.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(thiolan-3-yl)amino]hexan-3-one is sourced from PubChem (CID 106801314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).