1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine

C10H21NO2S — CID 79299591

IUPAC1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(C(C)C)C1CCCS(=O)(=O)C1
InChIInChI=1S/C10H21NO2S/c1-8(2)10(11-3)9-5-4-6-14(12,13)7-9/h8-11H,4-7H2,1-3H3
InChIKeyXVIHNQCSKNOBHC-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.06
Rot. Bonds3

About 1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine

1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine (PubChem CID 79299591) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine
PubChem CID79299591
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(C(C)C)C1CCCS(=O)(=O)C1
InChIInChI=1S/C10H21NO2S/c1-8(2)10(11-3)9-5-4-6-14(12,13)7-9/h8-11H,4-7H2,1-3H3
InChIKeyXVIHNQCSKNOBHC-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothian-3-yl)ethanamine
CID 66436765
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
N,2-dimethyl-1-(4-propan-2-ylcycloheptyl)propan-1-amine
CID 79299262
N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide
CID 63924115
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothian-3-amine
CID 102904188
N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine
CID 115900871
1-(1,1-dioxothian-3-yl)-N-ethylbutan-1-amine
CID 83050384
1-cyclobutyl-N,2,3-trimethylbutan-1-amine
CID 105049433
N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide
CID 106065944
2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine
CID 83006949
N-(1,1-dioxothian-3-yl)oxymethanamine
CID 105438258
3-(1,1-dioxothiolan-3-yl)-4-methylpentan-2-ol
CID 62913879

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine (CID 79299591) is 1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine is CNC(C(C)C)C1CCCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is XVIHNQCSKNOBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)10(11-3)9-5-4-6-14(12,13)7-9/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine?
1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-3-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 79299591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).