4-(3,3-dimethylbutyl)thiomorpholine

C10H21NS — CID 59829127

IUPAC4-(3,3-dimethylbutyl)thiomorpholine
SMILESCC(C)(C)CCN1CCSCC1
InChIInChI=1S/C10H21NS/c1-10(2,3)4-5-11-6-8-12-9-7-11/h4-9H2,1-3H3
InChIKeyJGJHIHSBMKUARY-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.47
Rot. Bonds2

About 4-(3,3-dimethylbutyl)thiomorpholine

4-(3,3-dimethylbutyl)thiomorpholine (PubChem CID 59829127) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)thiomorpholine.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)thiomorpholine
PubChem CID59829127
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-(3,3-dimethylbutyl)thiomorpholine
SMILESCC(C)(C)CCN1CCSCC1
InChIInChI=1S/C10H21NS/c1-10(2,3)4-5-11-6-8-12-9-7-11/h4-9H2,1-3H3
InChIKeyJGJHIHSBMKUARY-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-(3,3-dimethylbutyl)thiomorpholine?
The IUPAC name of 4-(3,3-dimethylbutyl)thiomorpholine (CID 59829127) is 4-(3,3-dimethylbutyl)thiomorpholine.
What is the SMILES notation for 4-(3,3-dimethylbutyl)thiomorpholine?
The canonical SMILES for 4-(3,3-dimethylbutyl)thiomorpholine is CC(C)(C)CCN1CCSCC1.
What is the InChIKey of 4-(3,3-dimethylbutyl)thiomorpholine?
The InChIKey is JGJHIHSBMKUARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2,3)4-5-11-6-8-12-9-7-11/h4-9H2,1-3H3.
What are the key properties of 4-(3,3-dimethylbutyl)thiomorpholine?
4-(3,3-dimethylbutyl)thiomorpholine has a molecular weight of 187.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)thiomorpholine is sourced from PubChem (CID 59829127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).