N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine

C14H28N2O3S — CID 103727757

IUPACN-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine
SMILESCNCC1(CC2CCCN(S(C)(=O)=O)C2)CCCOC1
InChIInChI=1S/C14H28N2O3S/c1-15-11-14(6-4-8-19-12-14)9-13-5-3-7-16(10-13)20(2,17)18/h13,15H,3-12H2,1-2H3
InChIKeySZBCOACFGSIJLV-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.06
Rot. Bonds5

About N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine

N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine (PubChem CID 103727757) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine
PubChem CID103727757
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine
SMILESCNCC1(CC2CCCN(S(C)(=O)=O)C2)CCCOC1
InChIInChI=1S/C14H28N2O3S/c1-15-11-14(6-4-8-19-12-14)9-13-5-3-7-16(10-13)20(2,17)18/h13,15H,3-12H2,1-2H3
InChIKeySZBCOACFGSIJLV-UHFFFAOYSA-N
XLogP1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
CID 79622813
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol
CID 79623271
3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-amine
CID 79612932
3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
CID 79622239
2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclopentan-1-ol
CID 79609530
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79610971
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 79621983
N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine
CID 63741775
3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 112563941
4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one
CID 79610502
1-(4-methoxyoxan-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116748724

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine (CID 103727757) is N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine is CNCC1(CC2CCCN(S(C)(=O)=O)C2)CCCOC1.
What is the InChIKey of N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine?
The InChIKey is SZBCOACFGSIJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-15-11-14(6-4-8-19-12-14)9-13-5-3-7-16(10-13)20(2,17)18/h13,15H,3-12H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine?
N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine has a molecular weight of 304.46 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-3-yl]methanamine is sourced from PubChem (CID 103727757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).