4-(2-methylpentyl)thiomorpholine

C10H21NS — CID 134994483

IUPAC4-(2-methylpentyl)thiomorpholine
SMILESCCCC(C)CN1CCSCC1
InChIInChI=1S/C10H21NS/c1-3-4-10(2)9-11-5-7-12-8-6-11/h10H,3-9H2,1-2H3
InChIKeyZGZRHNDPCUNRMC-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.47
Rot. Bonds4

About 4-(2-methylpentyl)thiomorpholine

4-(2-methylpentyl)thiomorpholine (PubChem CID 134994483) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-(2-methylpentyl)thiomorpholine.

Molecular Properties

Compound Name4-(2-methylpentyl)thiomorpholine
PubChem CID134994483
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-(2-methylpentyl)thiomorpholine
SMILESCCCC(C)CN1CCSCC1
InChIInChI=1S/C10H21NS/c1-3-4-10(2)9-11-5-7-12-8-6-11/h10H,3-9H2,1-2H3
InChIKeyZGZRHNDPCUNRMC-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentyl)thiomorpholine?
The IUPAC name of 4-(2-methylpentyl)thiomorpholine (CID 134994483) is 4-(2-methylpentyl)thiomorpholine.
What is the SMILES notation for 4-(2-methylpentyl)thiomorpholine?
The canonical SMILES for 4-(2-methylpentyl)thiomorpholine is CCCC(C)CN1CCSCC1.
What is the InChIKey of 4-(2-methylpentyl)thiomorpholine?
The InChIKey is ZGZRHNDPCUNRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-4-10(2)9-11-5-7-12-8-6-11/h10H,3-9H2,1-2H3.
What are the key properties of 4-(2-methylpentyl)thiomorpholine?
4-(2-methylpentyl)thiomorpholine has a molecular weight of 187.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentyl)thiomorpholine is sourced from PubChem (CID 134994483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).