4-(3,3-dimethylnonyl)thiomorpholine

C15H31NS — CID 134441568

IUPAC4-(3,3-dimethylnonyl)thiomorpholine
SMILESCCCCCCC(C)(C)CCN1CCSCC1
InChIInChI=1S/C15H31NS/c1-4-5-6-7-8-15(2,3)9-10-16-11-13-17-14-12-16/h4-14H2,1-3H3
InChIKeyAKOCBWRJYMUFGG-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.42
Rot. Bonds8

About 4-(3,3-dimethylnonyl)thiomorpholine

4-(3,3-dimethylnonyl)thiomorpholine (PubChem CID 134441568) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is 4-(3,3-dimethylnonyl)thiomorpholine.

Molecular Properties

Compound Name4-(3,3-dimethylnonyl)thiomorpholine
PubChem CID134441568
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name4-(3,3-dimethylnonyl)thiomorpholine
SMILESCCCCCCC(C)(C)CCN1CCSCC1
InChIInChI=1S/C15H31NS/c1-4-5-6-7-8-15(2,3)9-10-16-11-13-17-14-12-16/h4-14H2,1-3H3
InChIKeyAKOCBWRJYMUFGG-UHFFFAOYSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-dimethylnonyl)-4-methylpiperazine
CID 130279458
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2,2-dimethyl-4-(1,4-thiazepan-4-yl)butan-1-amine
CID 65247473
1-(2,2-dimethyloctyl)-4-methylpiperazine
CID 167019238
2,2-dimethyl-4-thiomorpholin-4-ylbutanenitrile
CID 65251203
1-(3,3-dimethylnonoxy)-3,3-dimethylnonane
CID 174611784
2-methyl-4-(1,4-thiazepan-4-yl)butan-2-ol
CID 79360816
4,4-dimethyltridecan-1-amine
CID 172686024
[1-(6,6,8,8-tetramethylhexadecanoyloxy)-3-thiomorpholin-4-ylpropan-2-yl] 10,10,12,12-tetramethyloctadecanoate
CID 170771323
4-[(6R)-6-methoxydecyl]thiomorpholine
CID 118890209
N-propyl-5-thiomorpholin-4-ylpentan-1-amine
CID 62417898
1-octylaziridine
CID 544653

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylnonyl)thiomorpholine?
The IUPAC name of 4-(3,3-dimethylnonyl)thiomorpholine (CID 134441568) is 4-(3,3-dimethylnonyl)thiomorpholine.
What is the SMILES notation for 4-(3,3-dimethylnonyl)thiomorpholine?
The canonical SMILES for 4-(3,3-dimethylnonyl)thiomorpholine is CCCCCCC(C)(C)CCN1CCSCC1.
What is the InChIKey of 4-(3,3-dimethylnonyl)thiomorpholine?
The InChIKey is AKOCBWRJYMUFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-4-5-6-7-8-15(2,3)9-10-16-11-13-17-14-12-16/h4-14H2,1-3H3.
What are the key properties of 4-(3,3-dimethylnonyl)thiomorpholine?
4-(3,3-dimethylnonyl)thiomorpholine has a molecular weight of 257.49 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylnonyl)thiomorpholine is sourced from PubChem (CID 134441568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).