3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine

C10H22N2O2S — CID 79408822

IUPAC3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine
SMILESCC(CN)C(C)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O2S/c1-8(6-11)9(2)12(3)10-4-5-15(13,14)7-10/h8-10H,4-7,11H2,1-3H3
InChIKeyOAKYYOQRJCAISX-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.09
Rot. Bonds4

About 3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine

3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine (PubChem CID 79408822) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine
PubChem CID79408822
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine
SMILESCC(CN)C(C)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O2S/c1-8(6-11)9(2)12(3)10-4-5-15(13,14)7-10/h8-10H,4-7,11H2,1-3H3
InChIKeyOAKYYOQRJCAISX-UHFFFAOYSA-N
XLogP0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine
CID 55034622
2-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 20985922
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 43648677
N-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylethane-1,2-diamine
CID 55161654
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxybutanimidamide
CID 76883640
3-[(1,1-dioxothiolan-3-yl)-methylamino]butanehydrazide
CID 63574276
2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62568820
N-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 43648601
N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine
CID 81080824
tert-butyl 2-[(1,1-dioxothiolan-3-yl)-methylamino]propanoate
CID 64689345
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
N-(1,1-dioxothiolan-3-yl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 43648599

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine (CID 79408822) is 3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine is CC(CN)C(C)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine?
The InChIKey is OAKYYOQRJCAISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8(6-11)9(2)12(3)10-4-5-15(13,14)7-10/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine?
3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine has a molecular weight of 234.36 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 79408822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).