N-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine

C13H26N2OS2 — CID 56707068

IUPACN-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine
SMILESCCC(CNC1CSCCSC1)N1CCOCC1
InChIInChI=1S/C13H26N2OS2/c1-2-13(15-3-5-16-6-4-15)9-14-12-10-17-7-8-18-11-12/h12-14H,2-11H2,1H3
InChIKeyQNORZEADUMRSLV-UHFFFAOYSA-N
MW290.50 g/mol
LogP1.54
Rot. Bonds5

About N-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine

N-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine (PubChem CID 56707068) has the molecular formula C13H26N2OS2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine
PubChem CID56707068
Molecular FormulaC13H26N2OS2
Molecular Weight290.50 g/mol
Exact Mass290.15
IUPAC NameN-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine
SMILESCCC(CNC1CSCCSC1)N1CCOCC1
InChIInChI=1S/C13H26N2OS2/c1-2-13(15-3-5-16-6-4-15)9-14-12-10-17-7-8-18-11-12/h12-14H,2-11H2,1H3
InChIKeyQNORZEADUMRSLV-UHFFFAOYSA-N
XLogP1.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine?
The IUPAC name of N-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine (CID 56707068) is N-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine.
What is the SMILES notation for N-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine?
The canonical SMILES for N-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine is CCC(CNC1CSCCSC1)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine?
The InChIKey is QNORZEADUMRSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS2/c1-2-13(15-3-5-16-6-4-15)9-14-12-10-17-7-8-18-11-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine?
N-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine has a molecular weight of 290.50 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylbutyl)-1,4-dithiepan-6-amine is sourced from PubChem (CID 56707068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).