N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine

C9H20N2S — CID 107133230

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

About N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine

N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine (PubChem CID 107133230) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine
PubChem CID107133230
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC NameN'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine
SMILESCN(CCCN)CC1CCSC1
InChIInChI=1S/C9H20N2S/c1-11(5-2-4-10)7-9-3-6-12-8-9/h9H,2-8,10H2,1H3
InChIKeyLRHFZJIFQVMKHY-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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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine (CID 107133230) is N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine is CN(CCCN)CC1CCSC1.
What is the InChIKey of N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine?
The InChIKey is LRHFZJIFQVMKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-11(5-2-4-10)7-9-3-6-12-8-9/h9H,2-8,10H2,1H3.
What are the key properties of N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine?
N'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-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'-methyl-N'-(thiolan-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 107133230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).