1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide

C12H25N3O3S — CID 106725367

IUPAC1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESCC(C)(C)S(=O)(=O)CCN1CCCC(C(N)=NO)C1
InChIInChI=1S/C12H25N3O3S/c1-12(2,3)19(17,18)8-7-15-6-4-5-10(9-15)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14)
InChIKeyAICDDJDVVHQUTI-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.66
Rot. Bonds4

About 1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide

1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 106725367) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID106725367
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESCC(C)(C)S(=O)(=O)CCN1CCCC(C(N)=NO)C1
InChIInChI=1S/C12H25N3O3S/c1-12(2,3)19(17,18)8-7-15-6-4-5-10(9-15)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14)
InChIKeyAICDDJDVVHQUTI-UHFFFAOYSA-N
XLogP0.66
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.66
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

N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide
CID 77041359
1-ethylsulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041761
N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide
CID 77041248
4-(2-tert-butylsulfonylethyl)morpholine-2-carbothioamide
CID 106724887
N-[[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 106725817
1-(2-tert-butylsulfonylethyl)pyrrolidine-3,4-diol
CID 106729248
1-(2-tert-butylsulfonylethyl)-3-methylpiperazine
CID 103815500
1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine
CID 106721484
1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone
CID 63847030
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023
N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
CID 65444861
3-(2-tert-butylsulfonylethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 103815561

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide (CID 106725367) is 1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide is CC(C)(C)S(=O)(=O)CCN1CCCC(C(N)=NO)C1.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is AICDDJDVVHQUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-12(2,3)19(17,18)8-7-15-6-4-5-10(9-15)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 291.42 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 106725367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).