1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine

C16H33NO2S — CID 115831653

IUPAC1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)C1CCCCS1(=O)=O
InChIInChI=1S/C16H33NO2S/c1-3-4-5-6-7-8-9-12-15(17-2)16-13-10-11-14-20(16,18)19/h15-17H,3-14H2,1-2H3
InChIKeyYJQHFLLOHRRPES-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.68
Rot. Bonds10

About 1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine

1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine (PubChem CID 115831653) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is 1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine
PubChem CID115831653
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC Name1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)C1CCCCS1(=O)=O
InChIInChI=1S/C16H33NO2S/c1-3-4-5-6-7-8-9-12-15(17-2)16-13-10-11-14-20(16,18)19/h15-17H,3-14H2,1-2H3
InChIKeyYJQHFLLOHRRPES-UHFFFAOYSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,1-dioxothian-2-yl)-N-ethyloctan-1-amine
CID 115832238
1-(1,1-dioxothian-2-yl)-N-methylpent-4-yn-1-amine
CID 115859440
1-(1,1-dioxothian-2-yl)-2-ethoxy-N-methylethanamine
CID 105008079
1-(1,1-dioxothian-2-yl)-N-methylbut-3-yn-1-amine
CID 114977650
1-(1,1-dioxothian-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115820861
1-(1,1-dioxothian-2-yl)-3-ethylheptan-1-amine
CID 115806090
1-(1,1-dioxothian-2-yl)-N-propylpent-4-yn-1-amine
CID 115859512
N-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649
N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine
CID 65425541
N-methyl-1-(oxolan-2-yl)hexan-1-amine
CID 65331605
[1-(1,1-dioxothian-2-yl)-2-propoxyethyl]hydrazine
CID 105321488
2-(4-chlorophenyl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine
CID 104519891

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine?
The IUPAC name of 1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine (CID 115831653) is 1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine?
The canonical SMILES for 1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine is CCCCCCCCCC(NC)C1CCCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine?
The InChIKey is YJQHFLLOHRRPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-3-4-5-6-7-8-9-12-15(17-2)16-13-10-11-14-20(16,18)19/h15-17H,3-14H2,1-2H3.
What are the key properties of 1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine?
1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-2-yl)-N-methyldecan-1-amine is sourced from PubChem (CID 115831653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).