2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine

C10H21NO2S — CID 62725297

IUPAC2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine
SMILESCCCC(C)(CN)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO2S/c1-3-5-10(2,8-11)9-4-6-14(12,13)7-9/h9H,3-8,11H2,1-2H3
InChIKeyWBSWHUVVFARCEG-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.19
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine

2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine (PubChem CID 62725297) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine
PubChem CID62725297
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine
SMILESCCCC(C)(CN)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO2S/c1-3-5-10(2,8-11)9-4-6-14(12,13)7-9/h9H,3-8,11H2,1-2H3
InChIKeyWBSWHUVVFARCEG-UHFFFAOYSA-N
XLogP1.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-2-amine
CID 105463171
3-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-1-amine
CID 105463174
3-(1,1-Dioxothiolan-3-yl)-2-fluoro-2-methylpropan-1-amine
CID 105463176
2-(3-Fluoro-1,1-dioxothiolan-3-yl)-2-methylpropan-1-amine
CID 105463186
2-(3-Fluoro-1,1-dioxothian-3-yl)-2-methylpropan-1-amine
CID 105480925
6-Ethylsulfonyl-3-fluoro-2-propan-2-ylhexan-1-amine
CID 107443657
2-Tert-butyl-2-fluoro-5-methylsulfonylpentan-1-amine
CID 112566481
2-Tert-butyl-5-ethylsulfonyl-2-fluoropentan-1-amine
CID 112566615
5-Ethylsulfonyl-2-fluoro-2-propan-2-ylpentan-1-amine
CID 112566928
2-Cyclopropyl-5-ethylsulfonyl-2-fluoropentan-1-amine
CID 112567244
3-(1,1-Dioxothiolan-3-yl)-4-fluorobutan-1-amine
CID 115026484
[4-(2-Fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine
CID 115026489

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine (CID 62725297) is 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine is CCCC(C)(CN)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine?
The InChIKey is WBSWHUVVFARCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-5-10(2,8-11)9-4-6-14(12,13)7-9/h9H,3-8,11H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine?
2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-2-methylpentan-1-amine is sourced from PubChem (CID 62725297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).