1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

C14H30N2O2S — CID 43511694

IUPAC1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC1CCS(=O)(=O)CC1)N(C)C
InChIInChI=1S/C14H30N2O2S/c1-5-12(6-2)14(16(3)4)11-15-13-7-9-19(17,18)10-8-13/h12-15H,5-11H2,1-4H3
InChIKeyBMVKBFNRXXLUTN-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.52
Rot. Bonds7

About 1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 43511694) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID43511694
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC1CCS(=O)(=O)CC1)N(C)C
InChIInChI=1S/C14H30N2O2S/c1-5-12(6-2)14(16(3)4)11-15-13-7-9-19(17,18)10-8-13/h12-15H,5-11H2,1-4H3
InChIKeyBMVKBFNRXXLUTN-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (CID 43511694) is 1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNC1CCS(=O)(=O)CC1)N(C)C.
What is the InChIKey of 1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is BMVKBFNRXXLUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-12(6-2)14(16(3)4)11-15-13-7-9-19(17,18)10-8-13/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 290.47 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-dioxothian-4-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 43511694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).