4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine

C9H21N3O2S — CID 153108241

IUPAC4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine
SMILESCC(C)S(=O)(=O)N1CCC(N)(CN)CC1
InChIInChI=1S/C9H21N3O2S/c1-8(2)15(13,14)12-5-3-9(11,7-10)4-6-12/h8H,3-7,10-11H2,1-2H3
InChIKeyVSKJRKCIQZQZTR-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.52
Rot. Bonds3

About 4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine

4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine (PubChem CID 153108241) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine
PubChem CID153108241
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine
SMILESCC(C)S(=O)(=O)N1CCC(N)(CN)CC1
InChIInChI=1S/C9H21N3O2S/c1-8(2)15(13,14)12-5-3-9(11,7-10)4-6-12/h8H,3-7,10-11H2,1-2H3
InChIKeyVSKJRKCIQZQZTR-UHFFFAOYSA-N
XLogP-0.52
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine (CID 153108241) is 4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine is CC(C)S(=O)(=O)N1CCC(N)(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine?
The InChIKey is VSKJRKCIQZQZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-8(2)15(13,14)12-5-3-9(11,7-10)4-6-12/h8H,3-7,10-11H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine?
4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine has a molecular weight of 235.35 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-propan-2-ylsulfonylpiperidin-4-amine is sourced from PubChem (CID 153108241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).