N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine

C8H18N2S — CID 70458048

IUPACN'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN)C1CCSC1
InChIInChI=1S/C8H18N2S/c1-7(10-4-3-9)8-2-5-11-6-8/h7-8,10H,2-6,9H2,1H3
InChIKeyXMSWJDSCEQBHTO-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.68
Rot. Bonds4

About N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine

N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine (PubChem CID 70458048) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine
PubChem CID70458048
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN)C1CCSC1
InChIInChI=1S/C8H18N2S/c1-7(10-4-3-9)8-2-5-11-6-8/h7-8,10H,2-6,9H2,1H3
InChIKeyXMSWJDSCEQBHTO-UHFFFAOYSA-N
XLogP0.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine (CID 70458048) is N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine is CC(NCCN)C1CCSC1.
What is the InChIKey of N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine?
The InChIKey is XMSWJDSCEQBHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-7(10-4-3-9)8-2-5-11-6-8/h7-8,10H,2-6,9H2,1H3.
What are the key properties of N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine?
N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine has a molecular weight of 174.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 70458048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).