1-methyl-2-nitrososulfanylpiperidine

C6H12N2OS — CID 154249404

IUPAC1-methyl-2-nitrososulfanylpiperidine
SMILESCN1CCCCC1SN=O
InChIInChI=1S/C6H12N2OS/c1-8-5-3-2-4-6(8)10-7-9/h6H,2-5H2,1H3
InChIKeyXKIIVWNSKUSCBZ-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.84
Rot. Bonds2

About 1-methyl-2-nitrososulfanylpiperidine

1-methyl-2-nitrososulfanylpiperidine (PubChem CID 154249404) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-methyl-2-nitrososulfanylpiperidine.

Molecular Properties

Compound Name1-methyl-2-nitrososulfanylpiperidine
PubChem CID154249404
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name1-methyl-2-nitrososulfanylpiperidine
SMILESCN1CCCCC1SN=O
InChIInChI=1S/C6H12N2OS/c1-8-5-3-2-4-6(8)10-7-9/h6H,2-5H2,1H3
InChIKeyXKIIVWNSKUSCBZ-UHFFFAOYSA-N
XLogP1.84
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-azacyclotetradecane
CID 70834681
1,2-dimethyl-azacyclododecane
CID 70316000
(2S)-2-iodo-1-methylpiperidine
CID 130374385
N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide
CID 144817633
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
CID 59102207
CID 59102207
1-methyl-2-(nitrosomethyl)pyrrolidine
CID 142961038
2-(isocyanatomethyl)-1-methylpiperidine
CID 21030173
1,2,3-trimethylazocane
CID 58293714
2-methoxy-1-methylpiperidine
CID 23222665
1-chloro-2-methylsulfanylpiperidine
CID 174662650

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-nitrososulfanylpiperidine?
The IUPAC name of 1-methyl-2-nitrososulfanylpiperidine (CID 154249404) is 1-methyl-2-nitrososulfanylpiperidine.
What is the SMILES notation for 1-methyl-2-nitrososulfanylpiperidine?
The canonical SMILES for 1-methyl-2-nitrososulfanylpiperidine is CN1CCCCC1SN=O.
What is the InChIKey of 1-methyl-2-nitrososulfanylpiperidine?
The InChIKey is XKIIVWNSKUSCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-8-5-3-2-4-6(8)10-7-9/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-2-nitrososulfanylpiperidine?
1-methyl-2-nitrososulfanylpiperidine has a molecular weight of 160.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-nitrososulfanylpiperidine is sourced from PubChem (CID 154249404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).