5-butyl-1,3,5-dithiazinane

C7H15NS2 — CID 15253873

IUPAC5-butyl-1,3,5-dithiazinane
SMILESCCCCN1CSCSC1
InChIInChI=1S/C7H15NS2/c1-2-3-4-8-5-9-7-10-6-8/h2-7H2,1H3
InChIKeyMQTQRLGSUFCIBC-UHFFFAOYSA-N
MW177.34 g/mol
LogP2.44
Rot. Bonds3

About 5-butyl-1,3,5-dithiazinane

5-butyl-1,3,5-dithiazinane (PubChem CID 15253873) has the molecular formula C7H15NS2 and a molecular weight of 177.34 g/mol. Its IUPAC name is 5-butyl-1,3,5-dithiazinane.

Molecular Properties

Compound Name5-butyl-1,3,5-dithiazinane
PubChem CID15253873
Molecular FormulaC7H15NS2
Molecular Weight177.34 g/mol
Exact Mass177.06
IUPAC Name5-butyl-1,3,5-dithiazinane
SMILESCCCCN1CSCSC1
InChIInChI=1S/C7H15NS2/c1-2-3-4-8-5-9-7-10-6-8/h2-7H2,1H3
InChIKeyMQTQRLGSUFCIBC-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Propyl-1,3,5-dithiazinane
CID 14867453
5-Propan-2-yl-1,3,5-dithiazinane
CID 3529636
5-Ethyl-1,3,5-dithiazinane
CID 2724694
5-(2-Methylpropyl)-1,3,5-dithiazinane
CID 15253874
5-Hexyl-1,3,5-dithiazinane
CID 86228279
5-Pentyl-1,3,5-dithiazinane
CID 88499423
Methyl-(piperidin-1-ylmethyl)-sulfanylidene-lambda4-sulfane
CID 164000764
5-Ethyl-1,3,5-dithiazinane;hydrochloride
CID 44887074
5-(3-Methylbutyl)-1,3,5-dithiazinane
CID 99938018

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,3,5-dithiazinane?
The IUPAC name of 5-butyl-1,3,5-dithiazinane (CID 15253873) is 5-butyl-1,3,5-dithiazinane.
What is the SMILES notation for 5-butyl-1,3,5-dithiazinane?
The canonical SMILES for 5-butyl-1,3,5-dithiazinane is CCCCN1CSCSC1.
What is the InChIKey of 5-butyl-1,3,5-dithiazinane?
The InChIKey is MQTQRLGSUFCIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS2/c1-2-3-4-8-5-9-7-10-6-8/h2-7H2,1H3.
What are the key properties of 5-butyl-1,3,5-dithiazinane?
5-butyl-1,3,5-dithiazinane has a molecular weight of 177.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,3,5-dithiazinane is sourced from PubChem (CID 15253873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).