5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol

C11H16ClNOS — CID 62229037

IUPAC5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol
SMILESNc1ccc(SCCCCCO)c(Cl)c1
InChIInChI=1S/C11H16ClNOS/c12-10-8-9(13)4-5-11(10)15-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7,13H2
InChIKeySUSVRDNFTZQUAI-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.18
Rot. Bonds6

About 5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol

5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol (PubChem CID 62229037) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol
PubChem CID62229037
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol
SMILESNc1ccc(SCCCCCO)c(Cl)c1
InChIInChI=1S/C11H16ClNOS/c12-10-8-9(13)4-5-11(10)15-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7,13H2
InChIKeySUSVRDNFTZQUAI-UHFFFAOYSA-N
XLogP3.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-amino-2-chlorophenyl)sulfanylpropan-1-ol
CID 43305115
4-butylsulfanyl-3-chloroaniline
CID 43305432
3-chloro-4-(4-methylpentylsulfanyl)aniline
CID 83159114
4-(4-amino-2-chlorophenyl)sulfanylbutanenitrile
CID 43305535
3-chloro-4-(3-ethylsulfanylpropylsulfanyl)aniline
CID 115875560
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
6-(2-amino-5-chlorophenyl)sulfanylhexan-1-ol
CID 107704002
6-(4-amino-2-chlorophenyl)sulfanyl-2,2-dimethylhexanenitrile
CID 106712533
3-(5-amino-2-methylphenyl)sulfanylpropan-1-ol
CID 66112702
1-(4-amino-2-chlorophenyl)sulfanyl-2-methylpropan-2-ol
CID 60884003
3-chloro-4-[3-(oxolan-2-yl)propylsulfanyl]aniline
CID 65161030
3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
CID 62324063

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol?
The IUPAC name of 5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol (CID 62229037) is 5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol.
What is the SMILES notation for 5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol?
The canonical SMILES for 5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol is Nc1ccc(SCCCCCO)c(Cl)c1.
What is the InChIKey of 5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol?
The InChIKey is SUSVRDNFTZQUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c12-10-8-9(13)4-5-11(10)15-7-3-1-2-6-14/h4-5,8,14H,1-3,6-7,13H2.
What are the key properties of 5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol?
5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol has a molecular weight of 245.77 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-chlorophenyl)sulfanylpentan-1-ol is sourced from PubChem (CID 62229037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).