N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide

C9H17N3O4S — CID 77041611

IUPACN'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide
SMILESCS(=O)(=O)CC(=O)N1CCCCC1C(N)=NO
InChIInChI=1S/C9H17N3O4S/c1-17(15,16)6-8(13)12-5-3-2-4-7(12)9(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11)
InChIKeyNMDMEAOJTQANDP-UHFFFAOYSA-N
MW263.32 g/mol
LogP-0.84
Rot. Bonds3

About N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide

N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide (PubChem CID 77041611) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide
PubChem CID77041611
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC NameN'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide
SMILESCS(=O)(=O)CC(=O)N1CCCCC1C(N)=NO
InChIInChI=1S/C9H17N3O4S/c1-17(15,16)6-8(13)12-5-3-2-4-7(12)9(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11)
InChIKeyNMDMEAOJTQANDP-UHFFFAOYSA-N
XLogP-0.84
TPSA113.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 66263848
N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide
CID 77036368
(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
CID 21355915
N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide
CID 77035994
N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
CID 77036476
N'-hydroxy-1-pentanoylpyrrolidine-2-carboximidamide
CID 77036233
N'-hydroxy-1-(4-methylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036265
N'-hydroxy-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboximidamide
CID 104521804
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone
CID 79548822
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate
CID 130131589
N'-hydroxy-1-(3,4,4-trimethylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036440

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide (CID 77041611) is N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide is CS(=O)(=O)CC(=O)N1CCCCC1C(N)=NO.
What is the InChIKey of N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide?
The InChIKey is NMDMEAOJTQANDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-17(15,16)6-8(13)12-5-3-2-4-7(12)9(10)11-14/h7,14H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide?
N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide has a molecular weight of 263.32 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-methylsulfonylacetyl)piperidine-2-carboximidamide is sourced from PubChem (CID 77041611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).