(1-tert-butylsulfonylpiperidin-3-yl)methanamine

C10H22N2O2S — CID 63688999

IUPAC(1-tert-butylsulfonylpiperidin-3-yl)methanamine
SMILESCC(C)(C)S(=O)(=O)N1CCCC(CN)C1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)15(13,14)12-6-4-5-9(7-11)8-12/h9H,4-8,11H2,1-3H3
InChIKeyQPNRGJCHEFJSMI-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.79
Rot. Bonds2

About (1-tert-butylsulfonylpiperidin-3-yl)methanamine

(1-tert-butylsulfonylpiperidin-3-yl)methanamine (PubChem CID 63688999) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is (1-tert-butylsulfonylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-tert-butylsulfonylpiperidin-3-yl)methanamine
PubChem CID63688999
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name(1-tert-butylsulfonylpiperidin-3-yl)methanamine
SMILESCC(C)(C)S(=O)(=O)N1CCCC(CN)C1
InChIInChI=1S/C10H22N2O2S/c1-10(2,3)15(13,14)12-6-4-5-9(7-11)8-12/h9H,4-8,11H2,1-3H3
InChIKeyQPNRGJCHEFJSMI-UHFFFAOYSA-N
XLogP0.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
2-fluoro-2-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 112565048
(3S)-1-tert-butylsulfonylpiperidine-3-carboxylic acid
CID 81126424
2-(1-tert-butylsulfonylpyrrolidin-3-yl)ethanol
CID 114799312
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79621958
ethyl (3S)-1-tert-butylsulfonylpiperidine-3-carboxylate
CID 115536187
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine
CID 79604534
3-(aminomethyl)-N-(2-methylsulfanylethyl)piperidine-1-sulfonamide
CID 106063540
(1-tert-butylsulfonylpyrrolidin-2-yl)methanamine
CID 63767722
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
3-(aminomethyl)pyrrolidine-1-sulfonamide
CID 114959335

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylsulfonylpiperidin-3-yl)methanamine?
The IUPAC name of (1-tert-butylsulfonylpiperidin-3-yl)methanamine (CID 63688999) is (1-tert-butylsulfonylpiperidin-3-yl)methanamine.
What is the SMILES notation for (1-tert-butylsulfonylpiperidin-3-yl)methanamine?
The canonical SMILES for (1-tert-butylsulfonylpiperidin-3-yl)methanamine is CC(C)(C)S(=O)(=O)N1CCCC(CN)C1.
What is the InChIKey of (1-tert-butylsulfonylpiperidin-3-yl)methanamine?
The InChIKey is QPNRGJCHEFJSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,3)15(13,14)12-6-4-5-9(7-11)8-12/h9H,4-8,11H2,1-3H3.
What are the key properties of (1-tert-butylsulfonylpiperidin-3-yl)methanamine?
(1-tert-butylsulfonylpiperidin-3-yl)methanamine has a molecular weight of 234.36 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylsulfonylpiperidin-3-yl)methanamine is sourced from PubChem (CID 63688999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).