N-(2-hydroxysulfanylethyl)cyclohexanamine

C8H17NOS — CID 151667244

IUPACN-(2-hydroxysulfanylethyl)cyclohexanamine
SMILESOSCCNC1CCCCC1
InChIInChI=1S/C8H17NOS/c10-11-7-6-9-8-4-2-1-3-5-8/h8-10H,1-7H2
InChIKeyQXUFGIRVVSZBKW-UHFFFAOYSA-N
MW175.30 g/mol
LogP2.11
Rot. Bonds4

About N-(2-hydroxysulfanylethyl)cyclohexanamine

N-(2-hydroxysulfanylethyl)cyclohexanamine (PubChem CID 151667244) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-(2-hydroxysulfanylethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-hydroxysulfanylethyl)cyclohexanamine
PubChem CID151667244
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-(2-hydroxysulfanylethyl)cyclohexanamine
SMILESOSCCNC1CCCCC1
InChIInChI=1S/C8H17NOS/c10-11-7-6-9-8-4-2-1-3-5-8/h8-10H,1-7H2
InChIKeyQXUFGIRVVSZBKW-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine
CID 63119889
N-(2-propan-2-ylsulfanylethyl)cycloheptanamine
CID 62579320
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N'-cycloundecylethane-1,2-diamine
CID 166845791
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
methyl 3-[2-(cyclohexylamino)ethylsulfanyl]propanoate
CID 115653965
N-(2-chloroethyl)cyclooctanamine
CID 18316363
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-propylcyclohexanamine;sulfuric acid
CID 22994805
N-(2-cyclopentylsulfanylethyl)cyclopropanamine
CID 63115389
N-(2-pentylsulfanylethyl)cyclopentanamine
CID 107756998
N-(3-ethylsulfanylpropyl)cyclohexanamine
CID 62577534

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxysulfanylethyl)cyclohexanamine?
The IUPAC name of N-(2-hydroxysulfanylethyl)cyclohexanamine (CID 151667244) is N-(2-hydroxysulfanylethyl)cyclohexanamine.
What is the SMILES notation for N-(2-hydroxysulfanylethyl)cyclohexanamine?
The canonical SMILES for N-(2-hydroxysulfanylethyl)cyclohexanamine is OSCCNC1CCCCC1.
What is the InChIKey of N-(2-hydroxysulfanylethyl)cyclohexanamine?
The InChIKey is QXUFGIRVVSZBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c10-11-7-6-9-8-4-2-1-3-5-8/h8-10H,1-7H2.
What are the key properties of N-(2-hydroxysulfanylethyl)cyclohexanamine?
N-(2-hydroxysulfanylethyl)cyclohexanamine has a molecular weight of 175.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxysulfanylethyl)cyclohexanamine is sourced from PubChem (CID 151667244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).