(3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine

C7H16N2O2S — CID 98227926

IUPAC(3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine
SMILESC[C@H]1CN(S(C)(=O)=O)CC[C@H]1N
InChIInChI=1S/C7H16N2O2S/c1-6-5-9(12(2,10)11)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/m0/s1
InChIKeyFRNHPJXWQSBQMR-NKWVEPMBSA-N
MW192.28 g/mol
LogP-0.38
Rot. Bonds1

About (3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine

(3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine (PubChem CID 98227926) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine
PubChem CID98227926
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine
SMILESC[C@H]1CN(S(C)(=O)=O)CC[C@H]1N
InChIInChI=1S/C7H16N2O2S/c1-6-5-9(12(2,10)11)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/m0/s1
InChIKeyFRNHPJXWQSBQMR-NKWVEPMBSA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of (3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine (CID 98227926) is (3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine is C[C@H]1CN(S(C)(=O)=O)CC[C@H]1N.
What is the InChIKey of (3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine?
The InChIKey is FRNHPJXWQSBQMR-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-6-5-9(12(2,10)11)4-3-7(6)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine?
(3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine has a molecular weight of 192.28 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 98227926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).