4-butylthiomorpholine

C8H17NS — CID 12517933

IUPAC4-butylthiomorpholine
SMILESCCCCN1CCSCC1
InChIInChI=1S/C8H17NS/c1-2-3-4-9-5-7-10-8-6-9/h2-8H2,1H3
InChIKeyQHTYJNLRRWTKON-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.84
Rot. Bonds3

About 4-butylthiomorpholine

4-butylthiomorpholine (PubChem CID 12517933) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 4-butylthiomorpholine.

Molecular Properties

Compound Name4-butylthiomorpholine
PubChem CID12517933
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name4-butylthiomorpholine
SMILESCCCCN1CCSCC1
InChIInChI=1S/C8H17NS/c1-2-3-4-9-5-7-10-8-6-9/h2-8H2,1H3
InChIKeyQHTYJNLRRWTKON-UHFFFAOYSA-N
XLogP1.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hexylthiomorpholine
CID 11424017
(r,s)-3-Isopropylsulfanyl-1-methyl-piperidine
CID 15063103
4-(But-3-yn-1-yl)-2,6-dimethylthiomorpholine
CID 64119802
2,2-Dimethyl-4-(pent-4-yn-1-yl)thiomorpholine
CID 115873226
2,2-Dimethyl-4-(3-methylbutyl)thiomorpholine
CID 130726719
1-Methyl-4-(4-(methylsulfanyl)butyl)piperazine
CID 145867183
3-Ethylsulfanyl-1-methylpiperidine
CID 15063101
2,3-Dimethyl-1,3-thiazinane
CID 12634515
2,4-Dimethylthiomorpholine
CID 14953861
(2R)-2,4-dimethylthiomorpholine
CID 92981088
(2S)-2,4-dimethylthiomorpholine
CID 92981089
3-Ethyl-2,4-dimethylthiomorpholine
CID 12517922

Frequently Asked Questions

What is the IUPAC name of 4-butylthiomorpholine?
The IUPAC name of 4-butylthiomorpholine (CID 12517933) is 4-butylthiomorpholine.
What is the SMILES notation for 4-butylthiomorpholine?
The canonical SMILES for 4-butylthiomorpholine is CCCCN1CCSCC1.
What is the InChIKey of 4-butylthiomorpholine?
The InChIKey is QHTYJNLRRWTKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-3-4-9-5-7-10-8-6-9/h2-8H2,1H3.
What are the key properties of 4-butylthiomorpholine?
4-butylthiomorpholine has a molecular weight of 159.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylthiomorpholine is sourced from PubChem (CID 12517933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).