5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol

C15H23NOS — CID 66347513

IUPAC5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol
SMILESOCCCCCSc1cccc(CNC2CC2)c1
InChIInChI=1S/C15H23NOS/c17-9-2-1-3-10-18-15-6-4-5-13(11-15)12-16-14-7-8-14/h4-6,11,14,16-17H,1-3,7-10,12H2
InChIKeyPDMSBGKBOKIKEZ-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.19
Rot. Bonds9

About 5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol

5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol (PubChem CID 66347513) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol.

Molecular Properties

Compound Name5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol
PubChem CID66347513
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol
SMILESOCCCCCSc1cccc(CNC2CC2)c1
InChIInChI=1S/C15H23NOS/c17-9-2-1-3-10-18-15-6-4-5-13(11-15)12-16-14-7-8-14/h4-6,11,14,16-17H,1-3,7-10,12H2
InChIKeyPDMSBGKBOKIKEZ-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(4-methylpentylsulfanyl)phenyl]methyl]cyclopropanamine
CID 83169209
5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol
CID 66348613
N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66347132
N-[[3-(2-ethylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 66349069
4-[3-(propylaminomethyl)phenyl]sulfanylbutan-1-ol
CID 66347276
2-[3-[(cyclopropylamino)methyl]phenyl]sulfanylacetonitrile
CID 66348489
1-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-3-methylbutan-2-ol
CID 114250004
2-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-1-phenylethanol
CID 66347327
N-[[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347709
N-[[3-[(4-methylphenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347718
N-[[3-[(2-bromophenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347525
1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161079

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol?
The IUPAC name of 5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol (CID 66347513) is 5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol.
What is the SMILES notation for 5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol?
The canonical SMILES for 5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol is OCCCCCSc1cccc(CNC2CC2)c1.
What is the InChIKey of 5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol?
The InChIKey is PDMSBGKBOKIKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c17-9-2-1-3-10-18-15-6-4-5-13(11-15)12-16-14-7-8-14/h4-6,11,14,16-17H,1-3,7-10,12H2.
What are the key properties of 5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol?
5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol has a molecular weight of 265.42 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpentan-1-ol is sourced from PubChem (CID 66347513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).