2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol

C14H23NOS — CID 64807876

IUPAC2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol
SMILESCNC(C)(CO)CC(C)Sc1ccccc1C
InChIInChI=1S/C14H23NOS/c1-11-7-5-6-8-13(11)17-12(2)9-14(3,10-16)15-4/h5-8,12,15-16H,9-10H2,1-4H3
InChIKeyOIGWPJUQTHKMOI-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.84
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol

2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol (PubChem CID 64807876) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol
PubChem CID64807876
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol
SMILESCNC(C)(CO)CC(C)Sc1ccccc1C
InChIInChI=1S/C14H23NOS/c1-11-7-5-6-8-13(11)17-12(2)9-14(3,10-16)15-4/h5-8,12,15-16H,9-10H2,1-4H3
InChIKeyOIGWPJUQTHKMOI-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-4-(2-methylphenyl)sulfanylpentan-1-ol
CID 64807682
2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentanenitrile
CID 64711545
4-(3-bromophenyl)sulfanyl-2-methyl-2-(methylamino)pentan-1-ol
CID 64806731
2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64818850
2-methyl-2-(methylamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 64806820
ethyl 2-(ethylamino)-2-methyl-4-(2-methylphenyl)sulfanylpentanoate
CID 64709365
2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64806184
2-methyl-4-(2-methylphenyl)sulfanyl-2-(propylamino)pentanenitrile
CID 64711154
2-methyl-2-(2-methylphenyl)sulfanylpropan-1-ol
CID 116852358
2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64808268
4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64786439
2-methyl-4-(4-methylphenyl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64808444

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol (CID 64807876) is 2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol is CNC(C)(CO)CC(C)Sc1ccccc1C.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol?
The InChIKey is OIGWPJUQTHKMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11-7-5-6-8-13(11)17-12(2)9-14(3,10-16)15-4/h5-8,12,15-16H,9-10H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol?
2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(2-methylphenyl)sulfanylpentan-1-ol is sourced from PubChem (CID 64807876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).