13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine

C11H25N3S2 — CID 90806516

IUPAC13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine
SMILESCC1(N)CSCCNCCCNCCSC1
InChIInChI=1S/C11H25N3S2/c1-11(12)9-15-7-5-13-3-2-4-14-6-8-16-10-11/h13-14H,2-10,12H2,1H3
InChIKeyJCKIRSQSNHVMJT-UHFFFAOYSA-N
MW263.48 g/mol
LogP0.75
Rot. Bonds

About 13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine

13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine (PubChem CID 90806516) has the molecular formula C11H25N3S2 and a molecular weight of 263.48 g/mol. Its IUPAC name is 13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine.

Molecular Properties

Compound Name13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine
PubChem CID90806516
Molecular FormulaC11H25N3S2
Molecular Weight263.48 g/mol
Exact Mass263.15
IUPAC Name13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine
SMILESCC1(N)CSCCNCCCNCCSC1
InChIInChI=1S/C11H25N3S2/c1-11(12)9-15-7-5-13-3-2-4-14-6-8-16-10-11/h13-14H,2-10,12H2,1H3
InChIKeyJCKIRSQSNHVMJT-UHFFFAOYSA-N
XLogP0.75
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.48
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine?
The IUPAC name of 13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine (CID 90806516) is 13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine.
What is the SMILES notation for 13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine?
The canonical SMILES for 13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine is CC1(N)CSCCNCCCNCCSC1.
What is the InChIKey of 13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine?
The InChIKey is JCKIRSQSNHVMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3S2/c1-11(12)9-15-7-5-13-3-2-4-14-6-8-16-10-11/h13-14H,2-10,12H2,1H3.
What are the key properties of 13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine?
13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine has a molecular weight of 263.48 g/mol, XLogP of 0.75, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine is sourced from PubChem (CID 90806516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).