3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol

C14H21NOS — CID 114370466

IUPAC3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol
SMILESCc1ccccc1CSC(CO)C(N)C1CC1
InChIInChI=1S/C14H21NOS/c1-10-4-2-3-5-12(10)9-17-13(8-16)14(15)11-6-7-11/h2-5,11,13-14,16H,6-9,15H2,1H3
InChIKeyOXOHRGADFFFBDQ-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.33
Rot. Bonds6

About 3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol

3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol (PubChem CID 114370466) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol
PubChem CID114370466
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol
SMILESCc1ccccc1CSC(CO)C(N)C1CC1
InChIInChI=1S/C14H21NOS/c1-10-4-2-3-5-12(10)9-17-13(8-16)14(15)11-6-7-11/h2-5,11,13-14,16H,6-9,15H2,1H3
InChIKeyOXOHRGADFFFBDQ-UHFFFAOYSA-N
XLogP2.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenyl)methylsulfanyl]propan-1-ol
CID 115659346
1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene
CID 63015916
3-amino-2-[(2-methylphenyl)methylsulfanyl]propanoic acid
CID 64695857
3-amino-3-cyclopropyl-2-quinazolin-4-ylsulfanylpropan-1-ol
CID 114370350
1-[bis[(2-methylphenyl)methylsulfanyl]methyl]-2-methylbenzene
CID 134929431
2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol
CID 166350753
3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol
CID 114370075
N-(2-amino-2-cyclopropylethyl)-2-(2-methylphenyl)acetamide
CID 63765173
1-(4-butylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 63528058
N'-hydroxy-2-[(2-methylphenyl)methylsulfanyl]butanimidamide
CID 76948930
trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol
CID 102735724
1-cyclobutyl-3-(2-methylphenyl)propan-1-amine
CID 105187525

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol (CID 114370466) is 3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol is Cc1ccccc1CSC(CO)C(N)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol?
The InChIKey is OXOHRGADFFFBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-4-2-3-5-12(10)9-17-13(8-16)14(15)11-6-7-11/h2-5,11,13-14,16H,6-9,15H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol?
3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 114370466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).