[1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine

C13H27N3O3S — CID 102971478

IUPAC[1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
SMILESCOC1CN(S(=O)(=O)N2CCC(CN)CC2)CCC1C
InChIInChI=1S/C13H27N3O3S/c1-11-3-6-16(10-13(11)19-2)20(17,18)15-7-4-12(9-14)5-8-15/h11-13H,3-10,14H2,1-2H3
InChIKeyOOTFRFZOIUMZRN-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.26
Rot. Bonds4

About [1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine

[1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine (PubChem CID 102971478) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is [1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
PubChem CID102971478
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name[1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
SMILESCOC1CN(S(=O)(=O)N2CCC(CN)CC2)CCC1C
InChIInChI=1S/C13H27N3O3S/c1-11-3-6-16(10-13(11)19-2)20(17,18)15-7-4-12(9-14)5-8-15/h11-13H,3-10,14H2,1-2H3
InChIKeyOOTFRFZOIUMZRN-UHFFFAOYSA-N
XLogP0.26
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,4,5-trimethylpiperazin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 114551752
(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine
CID 43605338
[4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanamine
CID 114960821
[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919652
4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,5-dimethylaniline
CID 102955246
N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine
CID 102971420
(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827
2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline
CID 103171907
N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine
CID 102971594
2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 102970782
5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine
CID 102955222
N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline
CID 102964517

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine (CID 102971478) is [1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine is COC1CN(S(=O)(=O)N2CCC(CN)CC2)CCC1C.
What is the InChIKey of [1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine?
The InChIKey is OOTFRFZOIUMZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-11-3-6-16(10-13(11)19-2)20(17,18)15-7-4-12(9-14)5-8-15/h11-13H,3-10,14H2,1-2H3.
What are the key properties of [1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine?
[1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine has a molecular weight of 305.44 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 102971478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).