N'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine

C9H20N2S — CID 103102154

IUPACN'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCN)CC1CCSC1
InChIInChI=1S/C9H20N2S/c1-2-11(5-4-10)7-9-3-6-12-8-9/h9H,2-8,10H2,1H3
InChIKeyHXNQWNMZUNKEBE-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.02
Rot. Bonds5

About N'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine

N'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 103102154) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine
PubChem CID103102154
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCN)CC1CCSC1
InChIInChI=1S/C9H20N2S/c1-2-11(5-4-10)7-9-3-6-12-8-9/h9H,2-8,10H2,1H3
InChIKeyHXNQWNMZUNKEBE-UHFFFAOYSA-N
XLogP1.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine
CID 107133230
N'-ethyl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine
CID 103102318
N'-[(1,1-dioxothiolan-3-yl)methyl]-N'-ethylethane-1,2-diamine
CID 103102345
2-[2-(dimethylamino)ethyl-(thiolan-3-ylmethyl)amino]acetic acid
CID 107426123
N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 66565691
1-(diethylamino)-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295767
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132785
2-methyl-3-(thiolan-3-yl)propan-1-amine
CID 117104663
N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 2058149
4-N-ethyl-4-N-(thian-3-ylmethyl)cyclohexane-1,4-diamine
CID 114283045

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine (CID 103102154) is N'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine is CCN(CCN)CC1CCSC1.
What is the InChIKey of N'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is HXNQWNMZUNKEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-2-11(5-4-10)7-9-3-6-12-8-9/h9H,2-8,10H2,1H3.
What are the key properties of N'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine?
N'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 188.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(thiolan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 103102154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).