(3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine

C10H22N2O2S — CID 165476115

IUPAC(3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine
SMILESCC1CN(S(=O)(=O)C(C)C)CCC1CN
InChIInChI=1S/C10H22N2O2S/c1-8(2)15(13,14)12-5-4-10(6-11)9(3)7-12/h8-10H,4-7,11H2,1-3H3
InChIKeyMNPJCZLCAZTCBS-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.64
Rot. Bonds3

About (3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine

(3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine (PubChem CID 165476115) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is (3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine
PubChem CID165476115
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name(3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine
SMILESCC1CN(S(=O)(=O)C(C)C)CCC1CN
InChIInChI=1S/C10H22N2O2S/c1-8(2)15(13,14)12-5-4-10(6-11)9(3)7-12/h8-10H,4-7,11H2,1-3H3
InChIKeyMNPJCZLCAZTCBS-UHFFFAOYSA-N
XLogP0.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine?
The IUPAC name of (3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine (CID 165476115) is (3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine.
What is the SMILES notation for (3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine?
The canonical SMILES for (3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine is CC1CN(S(=O)(=O)C(C)C)CCC1CN.
What is the InChIKey of (3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine?
The InChIKey is MNPJCZLCAZTCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8(2)15(13,14)12-5-4-10(6-11)9(3)7-12/h8-10H,4-7,11H2,1-3H3.
What are the key properties of (3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine?
(3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine has a molecular weight of 234.36 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-propan-2-ylsulfonylpiperidin-4-yl)methanamine is sourced from PubChem (CID 165476115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).