1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine

C15H30N2O2S — CID 79612064

IUPAC1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
SMILESCC1(C)C(CNCC2CCCN(S(C)(=O)=O)C2)C1(C)C
InChIInChI=1S/C15H30N2O2S/c1-14(2)13(15(14,3)4)10-16-9-12-7-6-8-17(11-12)20(5,18)19/h12-13,16H,6-11H2,1-5H3
InChIKeyPPQXFQBENOOKIM-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.93
Rot. Bonds5

About 1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine

1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine (PubChem CID 79612064) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
PubChem CID79612064
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
SMILESCC1(C)C(CNCC2CCCN(S(C)(=O)=O)C2)C1(C)C
InChIInChI=1S/C15H30N2O2S/c1-14(2)13(15(14,3)4)10-16-9-12-7-6-8-17(11-12)20(5,18)19/h12-13,16H,6-11H2,1-5H3
InChIKeyPPQXFQBENOOKIM-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine with MolForge

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Related Compounds

N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
3-[[(1-methylsulfonylpiperidin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106132238
N-[(1-methylsulfonylpiperidin-3-yl)methyl]hexan-1-amine
CID 79609727
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-[(1,1-dioxothiolan-2-yl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 81038476
7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine
CID 107814961
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol
CID 79609730
3-methyl-4-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79613327
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
1-(2,2-dimethylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 107003956
N-[(5-methylfuran-2-yl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79610199
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
CID 103746760

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine (CID 79612064) is 1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine is CC1(C)C(CNCC2CCCN(S(C)(=O)=O)C2)C1(C)C.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine?
The InChIKey is PPQXFQBENOOKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-14(2)13(15(14,3)4)10-16-9-12-7-6-8-17(11-12)20(5,18)19/h12-13,16H,6-11H2,1-5H3.
What are the key properties of 1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine?
1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine has a molecular weight of 302.48 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 79612064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).