N,3-dimethyl-1-methylsulfonylpiperidin-4-amine

C8H18N2O2S — CID 114449186

IUPACN,3-dimethyl-1-methylsulfonylpiperidin-4-amine
SMILESCNC1CCN(S(C)(=O)=O)CC1C
InChIInChI=1S/C8H18N2O2S/c1-7-6-10(13(3,11)12)5-4-8(7)9-2/h7-9H,4-6H2,1-3H3
InChIKeyDBNIXNAEMROPPN-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.12
Rot. Bonds2

About N,3-dimethyl-1-methylsulfonylpiperidin-4-amine

N,3-dimethyl-1-methylsulfonylpiperidin-4-amine (PubChem CID 114449186) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N,3-dimethyl-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-methylsulfonylpiperidin-4-amine
PubChem CID114449186
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN,3-dimethyl-1-methylsulfonylpiperidin-4-amine
SMILESCNC1CCN(S(C)(=O)=O)CC1C
InChIInChI=1S/C8H18N2O2S/c1-7-6-10(13(3,11)12)5-4-8(7)9-2/h7-9H,4-6H2,1-3H3
InChIKeyDBNIXNAEMROPPN-UHFFFAOYSA-N
XLogP-0.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-methylsulfonylpiperidin-4-amine
CID 67385582
1-cyclooctyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)urea
CID 166225966
N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
CID 114498826
1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine
CID 114498856
1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine
CID 114498866
(3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 98772907
(3R,4S)-3-methyl-1-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 95780734
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
(3S,4S)-3-methyl-1-methylsulfonyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 95780727
(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
CID 66707575
(3S,4R)-N-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 95780700

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N,3-dimethyl-1-methylsulfonylpiperidin-4-amine (CID 114449186) is N,3-dimethyl-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N,3-dimethyl-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N,3-dimethyl-1-methylsulfonylpiperidin-4-amine is CNC1CCN(S(C)(=O)=O)CC1C.
What is the InChIKey of N,3-dimethyl-1-methylsulfonylpiperidin-4-amine?
The InChIKey is DBNIXNAEMROPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7-6-10(13(3,11)12)5-4-8(7)9-2/h7-9H,4-6H2,1-3H3.
What are the key properties of N,3-dimethyl-1-methylsulfonylpiperidin-4-amine?
N,3-dimethyl-1-methylsulfonylpiperidin-4-amine has a molecular weight of 206.31 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 114449186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).