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

C14H21NOS — CID 64807361

IUPAC2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol
SMILESCc1cccc(CSCC(CO)NC2CC2)c1
InChIInChI=1S/C14H21NOS/c1-11-3-2-4-12(7-11)9-17-10-14(8-16)15-13-5-6-13/h2-4,7,13-16H,5-6,8-10H2,1H3
InChIKeyNYVDFKRZXKMCTE-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.34
Rot. Bonds7

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

2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol (PubChem CID 64807361) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol
PubChem CID64807361
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol
SMILESCc1cccc(CSCC(CO)NC2CC2)c1
InChIInChI=1S/C14H21NOS/c1-11-3-2-4-12(7-11)9-17-10-14(8-16)15-13-5-6-13/h2-4,7,13-16H,5-6,8-10H2,1H3
InChIKeyNYVDFKRZXKMCTE-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol
CID 64808400
3-[(3-methylphenyl)methylsulfanyl]propane-1,2-diol
CID 79683070
2-(cyclopropylamino)-2-methyl-5-[(3-methylphenyl)methylsulfanyl]pentan-1-ol
CID 64808398
2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol
CID 64789933
4-benzylsulfanyl-2-(cyclopropylamino)butan-1-ol
CID 64808012
1-cyclopentyl-3-[(3-methylphenyl)methylsulfanyl]propan-2-ol
CID 103160784
methyl 2-(cyclopropylamino)-2-methyl-3-[(3-methylphenyl)methylsulfanyl]propanoate
CID 62766075
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine
CID 55112789
2-(cyclopropylamino)-3-methylsulfanylpropan-1-ol
CID 64806225
1-[(3-methylphenyl)methylsulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 55112688
2-(cyclopropylamino)-2-methyl-4-[(3-methylphenyl)methylsulfanyl]butanenitrile
CID 62765559
2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
CID 64802892

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol (CID 64807361) is 2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol is Cc1cccc(CSCC(CO)NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol?
The InChIKey is NYVDFKRZXKMCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11-3-2-4-12(7-11)9-17-10-14(8-16)15-13-5-6-13/h2-4,7,13-16H,5-6,8-10H2,1H3.
What are the key properties of 2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol?
2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 64807361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).