4-(2-methylpentan-2-yl)thiomorpholine

C10H21NS — CID 146342945

IUPAC4-(2-methylpentan-2-yl)thiomorpholine
SMILESCCCC(C)(C)N1CCSCC1
InChIInChI=1S/C10H21NS/c1-4-5-10(2,3)11-6-8-12-9-7-11/h4-9H2,1-3H3
InChIKeyKVJVXDPSMNIVCF-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.61
Rot. Bonds3

About 4-(2-methylpentan-2-yl)thiomorpholine

4-(2-methylpentan-2-yl)thiomorpholine (PubChem CID 146342945) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-(2-methylpentan-2-yl)thiomorpholine.

Molecular Properties

Compound Name4-(2-methylpentan-2-yl)thiomorpholine
PubChem CID146342945
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-(2-methylpentan-2-yl)thiomorpholine
SMILESCCCC(C)(C)N1CCSCC1
InChIInChI=1S/C10H21NS/c1-4-5-10(2,3)11-6-8-12-9-7-11/h4-9H2,1-3H3
InChIKeyKVJVXDPSMNIVCF-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentan-2-yl)thiomorpholine?
The IUPAC name of 4-(2-methylpentan-2-yl)thiomorpholine (CID 146342945) is 4-(2-methylpentan-2-yl)thiomorpholine.
What is the SMILES notation for 4-(2-methylpentan-2-yl)thiomorpholine?
The canonical SMILES for 4-(2-methylpentan-2-yl)thiomorpholine is CCCC(C)(C)N1CCSCC1.
What is the InChIKey of 4-(2-methylpentan-2-yl)thiomorpholine?
The InChIKey is KVJVXDPSMNIVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-5-10(2,3)11-6-8-12-9-7-11/h4-9H2,1-3H3.
What are the key properties of 4-(2-methylpentan-2-yl)thiomorpholine?
4-(2-methylpentan-2-yl)thiomorpholine has a molecular weight of 187.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-2-yl)thiomorpholine is sourced from PubChem (CID 146342945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).