6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine

C10H21NO2S — CID 91375430

IUPAC6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine
SMILESCC(C)C1(C)CCCC(N)S(=O)(=O)C1
InChIInChI=1S/C10H21NO2S/c1-8(2)10(3)6-4-5-9(11)14(12,13)7-10/h8-9H,4-7,11H2,1-3H3
InChIKeyCOLONRJQAPFLAA-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.53
Rot. Bonds1

About 6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine

6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine (PubChem CID 91375430) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine.

Molecular Properties

Compound Name6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine
PubChem CID91375430
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine
SMILESCC(C)C1(C)CCCC(N)S(=O)(=O)C1
InChIInChI=1S/C10H21NO2S/c1-8(2)10(3)6-4-5-9(11)14(12,13)7-10/h8-9H,4-7,11H2,1-3H3
InChIKeyCOLONRJQAPFLAA-UHFFFAOYSA-N
XLogP1.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine
CID 107443657
Cyclohexyl(ethylsulfonyl)methanamine
CID 54085731
Cycloheptyl(propan-2-ylsulfonyl)methanamine
CID 54226265
2-Ethyl-1-methylsulfonylhexan-1-amine
CID 58764704
6-Ethyl-6-methyl-1-oxothiepan-2-amine
CID 91153225
6,6-Dimethyl-1,1-dioxothiepan-2-amine
CID 91466096
3,4-Dimethyl-1-methylsulfonylpentan-1-amine
CID 123289513
2-(1-Methylsulfonylpropan-2-yl)decan-1-amine
CID 149899676
2-(1,1-Dioxothiolan-3-yl)-4-methylpentan-1-amine
CID 62504150
2-(1,1-Dioxothiolan-3-yl)-5,5-dimethylhexan-1-amine
CID 62504517
2-(1,1-Dioxothiolan-3-yl)-2-methylpentan-1-amine
CID 62725297
2-(1,1-Dioxothiolan-3-yl)-2-ethylhexan-1-amine
CID 62725901

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine?
The IUPAC name of 6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine (CID 91375430) is 6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine.
What is the SMILES notation for 6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine?
The canonical SMILES for 6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine is CC(C)C1(C)CCCC(N)S(=O)(=O)C1.
What is the InChIKey of 6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine?
The InChIKey is COLONRJQAPFLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)10(3)6-4-5-9(11)14(12,13)7-10/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine?
6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine has a molecular weight of 219.35 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,1-dioxo-6-propan-2-ylthiepan-2-amine is sourced from PubChem (CID 91375430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).