N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine

C14H30N2O2S — CID 62554082

IUPACN-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
SMILESCCC(CC)CN(CC)CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C14H30N2O2S/c1-4-13(5-2)11-16(6-3)9-8-15-14-7-10-19(17,18)12-14/h13-15H,4-12H2,1-3H3
InChIKeyGSGGMBVHNPXECT-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.52
Rot. Bonds9

About N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine

N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine (PubChem CID 62554082) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
PubChem CID62554082
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
SMILESCCC(CC)CN(CC)CCNC1CCS(=O)(=O)C1
InChIInChI=1S/C14H30N2O2S/c1-4-13(5-2)11-16(6-3)9-8-15-14-7-10-19(17,18)12-14/h13-15H,4-12H2,1-3H3
InChIKeyGSGGMBVHNPXECT-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine
CID 62557736
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-(5-methylhexyl)-1,1-dioxothiolan-3-amine
CID 115325005
1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine
CID 106513325
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
CID 146012772
N-(1,1-dioxothiolan-3-yl)-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 62558264
N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine
CID 55092912
N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine
CID 81105550
N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 63909084
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378
N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62556979

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine (CID 62554082) is N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine is CCC(CC)CN(CC)CCNC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
The InChIKey is GSGGMBVHNPXECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-4-13(5-2)11-16(6-3)9-8-15-14-7-10-19(17,18)12-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine has a molecular weight of 290.47 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 62554082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).