N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine

C12H24N2S — CID 163582901

IUPACN-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine
SMILESSNCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C12H24N2S/c15-13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h13,15H,1-11H2
InChIKeyGJAZCUQYBSFWQS-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.61
Rot. Bonds3

About N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine

N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine (PubChem CID 163582901) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine
PubChem CID163582901
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine
SMILESSNCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C12H24N2S/c15-13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h13,15H,1-11H2
InChIKeyGJAZCUQYBSFWQS-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(1,2,3,5,6,7,8,9-octahydropyrrolo[1,2-a]azepin-9a-yl)methanamine
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N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride
CID 21409916
N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine
CID 60692485
(1-piperidin-1-ylcycloheptyl)methanamine
CID 24703148
[1-(azepan-1-yl)cyclopentyl]methanol
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1-cyclopentyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 63420585
(1-piperidin-1-ylcyclohexyl)methanamine;hydrochloride
CID 66570693
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine
CID 115706769
3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide
CID 102603401
2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 60716987
3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 81485319

Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine?
The IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine (CID 163582901) is N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine.
What is the SMILES notation for N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine?
The canonical SMILES for N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine is SNCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine?
The InChIKey is GJAZCUQYBSFWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c15-13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14/h13,15H,1-11H2.
What are the key properties of N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine?
N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine has a molecular weight of 228.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine is sourced from PubChem (CID 163582901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).