2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol

C17H27NOS — CID 64805340

IUPAC2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
SMILESCc1ccc(SCC(CO)(NC(C)C)C2CC2)c(C)c1
InChIInChI=1S/C17H27NOS/c1-12(2)18-17(10-19,15-6-7-15)11-20-16-8-5-13(3)9-14(16)4/h5,8-9,12,15,18-19H,6-7,10-11H2,1-4H3
InChIKeyDQXQIMSIBDQEAY-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.53
Rot. Bonds7

About 2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64805340) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64805340
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
SMILESCc1ccc(SCC(CO)(NC(C)C)C2CC2)c(C)c1
InChIInChI=1S/C17H27NOS/c1-12(2)18-17(10-19,15-6-7-15)11-20-16-8-5-13(3)9-14(16)4/h5,8-9,12,15,18-19H,6-7,10-11H2,1-4H3
InChIKeyDQXQIMSIBDQEAY-UHFFFAOYSA-N
XLogP3.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64806021
3-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 103291371
2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol
CID 64808543
2,4-dimethyl-1-(2,2,2-trifluoroethylsulfanyl)benzene
CID 141285232
2-cyclopropyl-3-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
CID 107764801
2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
CID 107784660
2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol
CID 64802024
methyl 3-(2,4-dimethylphenyl)sulfanyl-2,2-dimethylpropanoate
CID 79628860
2-amino-3-(2,4-dimethylphenyl)sulfanyl-2-phenylpropan-1-ol
CID 64805338
2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 64804918
3-amino-4-(2,4-dimethylphenyl)sulfanylbutan-1-ol
CID 64900528
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol
CID 64806798

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol (CID 64805340) is 2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol is Cc1ccc(SCC(CO)(NC(C)C)C2CC2)c(C)c1.
What is the InChIKey of 2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is DQXQIMSIBDQEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-12(2)18-17(10-19,15-6-7-15)11-20-16-8-5-13(3)9-14(16)4/h5,8-9,12,15,18-19H,6-7,10-11H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 293.48 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,4-dimethylphenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64805340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).