1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine

C11H23NO2S — CID 105125639

IUPAC1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine
SMILESCCCCC(CC1CCS(=O)(=O)C1)NC
InChIInChI=1S/C11H23NO2S/c1-3-4-5-11(12-2)8-10-6-7-15(13,14)9-10/h10-12H,3-9H2,1-2H3
InChIKeyBOQSHONQQUVHDC-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds6

About 1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine

1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine (PubChem CID 105125639) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine
PubChem CID105125639
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine
SMILESCCCCC(CC1CCS(=O)(=O)C1)NC
InChIInChI=1S/C11H23NO2S/c1-3-4-5-11(12-2)8-10-6-7-15(13,14)9-10/h10-12H,3-9H2,1-2H3
InChIKeyBOQSHONQQUVHDC-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-6-methyl-N-propylheptan-2-amine
CID 105177004
1-(1,1-dioxothiolan-3-yl)-N-propylpentan-2-amine
CID 61058899
[1-(1,1-dioxothiolan-3-yl)-6-methylheptan-2-yl]hydrazine
CID 105331286
N-[(1,1-dioxothiolan-3-yl)methyl]undecan-6-amine
CID 61057538
1-(1,1-dioxothiolan-3-yl)-N,3-dimethylhexan-2-amine
CID 107893846
1-(1,1-dioxothiolan-3-yl)dodecan-2-amine
CID 105138148
1-cycloheptyl-N-methylhexan-2-amine
CID 115832695
1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 105174291
1-(1,1-dioxothiolan-3-yl)-N-methyl-4-thiophen-3-ylbutan-2-amine
CID 105147931
N-methyl-1-(oxan-4-yl)hexan-2-amine
CID 79404472
N-octan-4-yl-1,1-dioxothian-4-amine
CID 106023054
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine (CID 105125639) is 1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine is CCCCC(CC1CCS(=O)(=O)C1)NC.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine?
The InChIKey is BOQSHONQQUVHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-4-5-11(12-2)8-10-6-7-15(13,14)9-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine?
1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-methylhexan-2-amine is sourced from PubChem (CID 105125639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).