cyclohexylsulfanylmethanamine

C7H15NS — CID 18729999

IUPACcyclohexylsulfanylmethanamine
SMILESNCSC1CCCCC1
InChIInChI=1S/C7H15NS/c8-6-9-7-4-2-1-3-5-7/h7H,1-6,8H2
InChIKeyUDPGJUTVYBKZBR-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.97
Rot. Bonds2

About cyclohexylsulfanylmethanamine

cyclohexylsulfanylmethanamine (PubChem CID 18729999) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is cyclohexylsulfanylmethanamine.

Molecular Properties

Compound Namecyclohexylsulfanylmethanamine
PubChem CID18729999
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Namecyclohexylsulfanylmethanamine
SMILESNCSC1CCCCC1
InChIInChI=1S/C7H15NS/c8-6-9-7-4-2-1-3-5-7/h7H,1-6,8H2
InChIKeyUDPGJUTVYBKZBR-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentylsulfanylethanamine
CID 23401603
ethylsulfanylcycloheptane
CID 67666697
1-amino-3-cyclohexylsulfanylpropan-2-ol
CID 60885564
ethylsulfanylcyclohexane;hydrate
CID 154657680
4-cyclopentylsulfanylbut-2-en-1-amine
CID 77110287
(E)-4-cyclopentylsulfanylbut-2-en-1-amine
CID 66044637
2-cyclohexylsulfanylethanethiol
CID 12594005
butylsulfanylcycloheptane
CID 14970942
1,4-bis(cyclohexylsulfanylmethyl)benzene
CID 90723558
1-cyclohexylsulfanylpropan-2-ylhydrazine
CID 105227877
2-(2-cyclohexylsulfanylethyl)cyclopentan-1-amine
CID 79576536
methylsulfanylmethylsulfanylcyclopentane
CID 126997414

Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfanylmethanamine?
The IUPAC name of cyclohexylsulfanylmethanamine (CID 18729999) is cyclohexylsulfanylmethanamine.
What is the SMILES notation for cyclohexylsulfanylmethanamine?
The canonical SMILES for cyclohexylsulfanylmethanamine is NCSC1CCCCC1.
What is the InChIKey of cyclohexylsulfanylmethanamine?
The InChIKey is UDPGJUTVYBKZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c8-6-9-7-4-2-1-3-5-7/h7H,1-6,8H2.
What are the key properties of cyclohexylsulfanylmethanamine?
cyclohexylsulfanylmethanamine has a molecular weight of 145.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfanylmethanamine is sourced from PubChem (CID 18729999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).