N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide

C9H17N3OS — CID 79155630

IUPACN-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
SMILESCN(CC(N)=S)C(=O)N1CCCCC1
InChIInChI=1S/C9H17N3OS/c1-11(7-8(10)14)9(13)12-5-3-2-4-6-12/h2-7H2,1H3,(H2,10,14)
InChIKeyGRLZGZOTYDKPFJ-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.81
Rot. Bonds2

About N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide

N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide (PubChem CID 79155630) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
PubChem CID79155630
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
SMILESCN(CC(N)=S)C(=O)N1CCCCC1
InChIInChI=1S/C9H17N3OS/c1-11(7-8(10)14)9(13)12-5-3-2-4-6-12/h2-7H2,1H3,(H2,10,14)
InChIKeyGRLZGZOTYDKPFJ-UHFFFAOYSA-N
XLogP0.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide
CID 79152042
N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylazepane-1-carboxamide
CID 79152199
N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide
CID 79162050
N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide
CID 116657967
ethyl 2-[methyl(piperidine-1-carbonyl)amino]acetate
CID 78984916
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide
CID 60730410
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentylazepane-1-carboxamide
CID 79152105
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
CID 116654823
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159569

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide (CID 79155630) is N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide is CN(CC(N)=S)C(=O)N1CCCCC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide?
The InChIKey is GRLZGZOTYDKPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-11(7-8(10)14)9(13)12-5-3-2-4-6-12/h2-7H2,1H3,(H2,10,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide has a molecular weight of 215.32 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79155630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).