N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine

C14H30N2O3S — CID 62557736

IUPACN-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCNC1CCS(=O)(=O)C1)CCOC
InChIInChI=1S/C14H30N2O3S/c1-4-14(5-2)16(9-10-19-3)8-7-15-13-6-11-20(17,18)12-13/h13-15H,4-12H2,1-3H3
InChIKeyWHRQBXWZUWRTGF-UHFFFAOYSA-N
MW306.47 g/mol
LogP0.90
Rot. Bonds10

About N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine

N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 62557736) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine
PubChem CID62557736
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCNC1CCS(=O)(=O)C1)CCOC
InChIInChI=1S/C14H30N2O3S/c1-4-14(5-2)16(9-10-19-3)8-7-15-13-6-11-20(17,18)12-13/h13-15H,4-12H2,1-3H3
InChIKeyWHRQBXWZUWRTGF-UHFFFAOYSA-N
XLogP0.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine with MolForge

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Related Compounds

N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62556979
N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62562576
N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 62554082
N'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102700923
1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine
CID 106513325
3-(cyclopropylamino)-N-(2-methoxyethyl)-N-pentan-3-ylpropanamide
CID 54871842
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-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 63909084
N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635054
N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 46398595
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine (CID 62557736) is N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CCNC1CCS(=O)(=O)C1)CCOC.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is WHRQBXWZUWRTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-4-14(5-2)16(9-10-19-3)8-7-15-13-6-11-20(17,18)12-13/h13-15H,4-12H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine?
N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 306.47 g/mol, XLogP of 0.90, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 62557736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).