2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol

C16H27NOS — CID 64806796

IUPAC2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol
SMILESCC(C)NC(CO)CCSc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NOS/c1-12(2)14-5-7-16(8-6-14)19-10-9-15(11-18)17-13(3)4/h5-8,12-13,15,17-18H,9-11H2,1-4H3
InChIKeyWJZUEMYXRGKOPL-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.65
Rot. Bonds8

About 2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol

2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol (PubChem CID 64806796) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol
PubChem CID64806796
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol
SMILESCC(C)NC(CO)CCSc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NOS/c1-12(2)14-5-7-16(8-6-14)19-10-9-15(11-18)17-13(3)4/h5-8,12-13,15,17-18H,9-11H2,1-4H3
InChIKeyWJZUEMYXRGKOPL-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-difluorophenyl)sulfanyl-2-(propan-2-ylamino)butan-1-ol
CID 64819699
4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol
CID 64820871
1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene
CID 22891048
N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
CID 61386053
4-phenylsulfanyl-2-(propylamino)butan-1-ol
CID 64821081
2-(methylamino)-4-(4-methylsulfonylphenyl)sulfanylbutan-1-ol
CID 64808217
N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
CID 61386045
2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
CID 62582800
methyl 2-(ethylamino)-4-(4-propan-2-ylphenyl)sulfanylbutanoate
CID 63034491
6-(4-propan-2-ylphenyl)sulfanylhexan-2-one
CID 43794030
2-(methylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64806432
6-(4-propan-2-ylphenyl)sulfanylhexan-3-one
CID 106802206

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol?
The IUPAC name of 2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol (CID 64806796) is 2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol.
What is the SMILES notation for 2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol?
The canonical SMILES for 2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol is CC(C)NC(CO)CCSc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol?
The InChIKey is WJZUEMYXRGKOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-12(2)14-5-7-16(8-6-14)19-10-9-15(11-18)17-13(3)4/h5-8,12-13,15,17-18H,9-11H2,1-4H3.
What are the key properties of 2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol?
2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol has a molecular weight of 281.47 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol is sourced from PubChem (CID 64806796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).