2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol

C17H29NOS — CID 64807009

IUPAC2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)Sc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NOS/c1-6-18-17(5,12-19)11-14(4)20-16-9-7-15(8-10-16)13(2)3/h7-10,13-14,18-19H,6,11-12H2,1-5H3
InChIKeyROSDBUBVEZGWNR-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.04
Rot. Bonds8

About 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol

2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol (PubChem CID 64807009) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol
PubChem CID64807009
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)Sc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NOS/c1-6-18-17(5,12-19)11-14(4)20-16-9-7-15(8-10-16)13(2)3/h7-10,13-14,18-19H,6,11-12H2,1-5H3
InChIKeyROSDBUBVEZGWNR-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide
CID 64711254
2-methyl-4-(4-methylphenyl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64808444
4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64820388
4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64819063
2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64806184
4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol
CID 64820392
2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64818850
2-methyl-4-(4-propan-2-ylphenyl)sulfanyl-2-(propylamino)pentanenitrile
CID 64711915
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol
CID 64806798
2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64811206
2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
CID 115384279
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64818569

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol (CID 64807009) is 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol is CCNC(C)(CO)CC(C)Sc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol?
The InChIKey is ROSDBUBVEZGWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-6-18-17(5,12-19)11-14(4)20-16-9-7-15(8-10-16)13(2)3/h7-10,13-14,18-19H,6,11-12H2,1-5H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol?
2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol has a molecular weight of 295.49 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol is sourced from PubChem (CID 64807009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).