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

C8H18N2O2S — CID 115869779

IUPACN'-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)CC1CCS(=O)(=O)C1
InChIInChI=1S/C8H18N2O2S/c1-10(4-3-9)6-8-2-5-13(11,12)7-8/h8H,2-7,9H2,1H3
InChIKeyRTVCGMBAFBUEPI-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.69
Rot. Bonds4

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

N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 115869779) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID115869779
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN'-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)CC1CCS(=O)(=O)C1
InChIInChI=1S/C8H18N2O2S/c1-10(4-3-9)6-8-2-5-13(11,12)7-8/h8H,2-7,9H2,1H3
InChIKeyRTVCGMBAFBUEPI-UHFFFAOYSA-N
XLogP-0.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine
CID 103102345
2-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylprop-2-en-1-amine
CID 56795028
N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55151127
N'-acetyl-N'-(2-aminoethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxamide
CID 108527078
2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride
CID 56828087
N-[2-(1,1-dioxothian-4-yl)ethyl]-N-methylhydroxylamine
CID 105460988
2-[[(3S)-1,1-dioxothiolan-3-yl]methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 95775435
N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 55225873
2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460979
2-[(3S)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460980
2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
CID 39871724
2-[(1,1-dioxothian-4-yl)methyl-methylamino]-N,N-diethylacetamide
CID 71908835

Frequently Asked Questions

What is the IUPAC name of N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylethane-1,2-diamine (CID 115869779) is N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylethane-1,2-diamine is CN(CCN)CC1CCS(=O)(=O)C1.
What is the InChIKey of N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is RTVCGMBAFBUEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-10(4-3-9)6-8-2-5-13(11,12)7-8/h8H,2-7,9H2,1H3.
What are the key properties of N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylethane-1,2-diamine?
N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 206.31 g/mol, XLogP of -0.69, 4 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'-methylethane-1,2-diamine is sourced from PubChem (CID 115869779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).