N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine

C9H20N2O2S — CID 103102345

IUPACN'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)CC1CCS(=O)(=O)C1
InChIInChI=1S/C9H20N2O2S/c1-2-11(5-4-10)7-9-3-6-14(12,13)8-9/h9H,2-8,10H2,1H3
InChIKeyYQJUXYWOQIHGSU-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.30
Rot. Bonds5

About N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine

N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 103102345) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID103102345
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)CC1CCS(=O)(=O)C1
InChIInChI=1S/C9H20N2O2S/c1-2-11(5-4-10)7-9-3-6-14(12,13)8-9/h9H,2-8,10H2,1H3
InChIKeyYQJUXYWOQIHGSU-UHFFFAOYSA-N
XLogP-0.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 115869779
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(1,1-dioxothiolan-3-yl)propan-1-one
CID 110617966
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
2-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine
CID 56795028
N'-ethyl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine
CID 103102318
N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 62554082
N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 66565691
2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride
CID 56828087
1-[5-(diethylamino)pentan-2-yl]-3-[(1,1-dioxothiolan-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 111000160
1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide
CID 115452794
ethyl N-benzyl-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]carbamate
CID 99976023
2-[(3S)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460980

Frequently Asked Questions

What is the IUPAC name of N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine (CID 103102345) is N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine is CCN(CCN)CC1CCS(=O)(=O)C1.
What is the InChIKey of N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is YQJUXYWOQIHGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-11(5-4-10)7-9-3-6-14(12,13)8-9/h9H,2-8,10H2,1H3.
What are the key properties of N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine?
N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 220.34 g/mol, XLogP of -0.30, 5 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)methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 103102345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).