cyclohexyl(methylamino)methanethiol

C8H17NS — CID 116954590

IUPACcyclohexyl(methylamino)methanethiol
SMILESCNC(S)C1CCCCC1
InChIInChI=1S/C8H17NS/c1-9-8(10)7-5-3-2-4-6-7/h7-10H,2-6H2,1H3
InChIKeyURVYYFGPKRBLNO-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.04
Rot. Bonds2

About cyclohexyl(methylamino)methanethiol

cyclohexyl(methylamino)methanethiol (PubChem CID 116954590) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is cyclohexyl(methylamino)methanethiol.

Molecular Properties

Compound Namecyclohexyl(methylamino)methanethiol
PubChem CID116954590
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Namecyclohexyl(methylamino)methanethiol
SMILESCNC(S)C1CCCCC1
InChIInChI=1S/C8H17NS/c1-9-8(10)7-5-3-2-4-6-7/h7-10H,2-6H2,1H3
InChIKeyURVYYFGPKRBLNO-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-1-cyclopropyl-N-methylmethanamine
CID 65399883
1-chloro-1-cyclohexyl-N-methylmethanamine
CID 116962166
1-cyclohexyl-N-methylethanamine;hydrochloride
CID 102555174
1-cyclohexyl-N-methylethanamine;ethane
CID 143356514
1-cyclohexyl-2,2-difluoro-N-methylethanamine
CID 80606050
1-cyclopentyl-N-methylethanamine;ethane
CID 142106515
N-methylcyclohexanamine
CID 7514
N-methylcyclotetradecanamine
CID 59468246
1-cyclohexyl-1-N-methylpropane-1,2-diamine
CID 116948168
3-cyclopentyl-3-(methylamino)propane-1-thiol
CID 116831478
1-cyclohexyl-1-(methylamino)propan-2-ol
CID 116859518
CID 162293667
CID 162293667

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(methylamino)methanethiol?
The IUPAC name of cyclohexyl(methylamino)methanethiol (CID 116954590) is cyclohexyl(methylamino)methanethiol.
What is the SMILES notation for cyclohexyl(methylamino)methanethiol?
The canonical SMILES for cyclohexyl(methylamino)methanethiol is CNC(S)C1CCCCC1.
What is the InChIKey of cyclohexyl(methylamino)methanethiol?
The InChIKey is URVYYFGPKRBLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-9-8(10)7-5-3-2-4-6-7/h7-10H,2-6H2,1H3.
What are the key properties of cyclohexyl(methylamino)methanethiol?
cyclohexyl(methylamino)methanethiol has a molecular weight of 159.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(methylamino)methanethiol is sourced from PubChem (CID 116954590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).