2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine

C14H30N2O2S — CID 43648661

IUPAC2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H30N2O2S/c1-5-12(3)9-14(6-2,11-15)16(4)13-7-8-19(17,18)10-13/h12-13H,5-11,15H2,1-4H3
InChIKeyKIGCTHBGANMSNG-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.65
Rot. Bonds7

About 2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine

2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine (PubChem CID 43648661) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine
PubChem CID43648661
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H30N2O2S/c1-5-12(3)9-14(6-2,11-15)16(4)13-7-8-19(17,18)10-13/h12-13H,5-11,15H2,1-4H3
InChIKeyKIGCTHBGANMSNG-UHFFFAOYSA-N
XLogP1.65
TPSA63.40 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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine?
The IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine (CID 43648661) is 2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine.
What is the SMILES notation for 2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine?
The canonical SMILES for 2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine is CCC(C)CC(CC)(CN)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine?
The InChIKey is KIGCTHBGANMSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-12(3)9-14(6-2,11-15)16(4)13-7-8-19(17,18)10-13/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine?
2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine has a molecular weight of 290.47 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine is sourced from PubChem (CID 43648661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).