N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine

C14H28N2O3S — CID 62556979

IUPACN'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCNC1CCS(=O)(=O)C1)C(C)C1CC1
InChIInChI=1S/C14H28N2O3S/c1-12(13-3-4-13)16(8-9-19-2)7-6-15-14-5-10-20(17,18)11-14/h12-15H,3-11H2,1-2H3
InChIKeyQTQCCFAXOFVOAC-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.51
Rot. Bonds9

About N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine

N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 62556979) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID62556979
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(CCNC1CCS(=O)(=O)C1)C(C)C1CC1
InChIInChI=1S/C14H28N2O3S/c1-12(13-3-4-13)16(8-9-19-2)7-6-15-14-5-10-20(17,18)11-14/h12-15H,3-11H2,1-2H3
InChIKeyQTQCCFAXOFVOAC-UHFFFAOYSA-N
XLogP0.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102700923
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 55089014
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-N-pentan-2-ylethane-1,2-diamine
CID 62556804
N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635054
N-(5-methylhexyl)-1,1-dioxothiolan-3-amine
CID 115325005
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyethyl)propanamide
CID 43086730
N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 62554082
N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43511440
1-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methoxypropan-2-ol
CID 63928354
N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 46398595
N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 63909084

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine (CID 62556979) is N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine is COCCN(CCNC1CCS(=O)(=O)C1)C(C)C1CC1.
What is the InChIKey of N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is QTQCCFAXOFVOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12(13-3-4-13)16(8-9-19-2)7-6-15-14-5-10-20(17,18)11-14/h12-15H,3-11H2,1-2H3.
What are the key properties of N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine?
N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 304.46 g/mol, XLogP of 0.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 62556979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).