4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol

C14H29NOS — CID 64808104

IUPAC4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCSC1CCCCC1
InChIInChI=1S/C14H29NOS/c1-3-10-15-14(2,12-16)9-11-17-13-7-5-4-6-8-13/h13,15-16H,3-12H2,1-2H3
InChIKeyXVYNMGBNHHPCPN-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.19
Rot. Bonds8

About 4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol

4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 64808104) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol
PubChem CID64808104
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCSC1CCCCC1
InChIInChI=1S/C14H29NOS/c1-3-10-15-14(2,12-16)9-11-17-13-7-5-4-6-8-13/h13,15-16H,3-12H2,1-2H3
InChIKeyXVYNMGBNHHPCPN-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexylsulfanyl-2-(ethylamino)-2-methylbutan-1-ol
CID 64806644
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol
CID 64807359
4-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)butan-1-ol
CID 64807185
2-(ethylamino)-2-methyl-4-(oxan-4-ylsulfanyl)butan-1-ol
CID 64805918
2-methyl-2-(propylamino)-4-propylsulfanylbutan-1-ol
CID 64818839
5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64808099
4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64806975
6-(cyclopentylmethylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64808646
N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine
CID 63115390
6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
CID 64811173
4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol
CID 64802334
5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol
CID 64809285

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol (CID 64808104) is 4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCSC1CCCCC1.
What is the InChIKey of 4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is XVYNMGBNHHPCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-3-10-15-14(2,12-16)9-11-17-13-7-5-4-6-8-13/h13,15-16H,3-12H2,1-2H3.
What are the key properties of 4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol?
4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 259.46 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanyl-2-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64808104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).