1-cyclopropylsulfonyl-2-methylpiperidin-4-amine

C9H18N2O2S — CID 115312667

IUPAC1-cyclopropylsulfonyl-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)C1CC1
InChIInChI=1S/C9H18N2O2S/c1-7-6-8(10)4-5-11(7)14(12,13)9-2-3-9/h7-9H,2-6,10H2,1H3
InChIKeyYNFVAXJVOBXOJP-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.29
Rot. Bonds2

About 1-cyclopropylsulfonyl-2-methylpiperidin-4-amine

1-cyclopropylsulfonyl-2-methylpiperidin-4-amine (PubChem CID 115312667) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-2-methylpiperidin-4-amine
PubChem CID115312667
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-cyclopropylsulfonyl-2-methylpiperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)C1CC1
InChIInChI=1S/C9H18N2O2S/c1-7-6-8(10)4-5-11(7)14(12,13)9-2-3-9/h7-9H,2-6,10H2,1H3
InChIKeyYNFVAXJVOBXOJP-UHFFFAOYSA-N
XLogP0.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-2-methylpiperidin-4-amine?
The IUPAC name of 1-cyclopropylsulfonyl-2-methylpiperidin-4-amine (CID 115312667) is 1-cyclopropylsulfonyl-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-cyclopropylsulfonyl-2-methylpiperidin-4-amine?
The canonical SMILES for 1-cyclopropylsulfonyl-2-methylpiperidin-4-amine is CC1CC(N)CCN1S(=O)(=O)C1CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-2-methylpiperidin-4-amine?
The InChIKey is YNFVAXJVOBXOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7-6-8(10)4-5-11(7)14(12,13)9-2-3-9/h7-9H,2-6,10H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-2-methylpiperidin-4-amine?
1-cyclopropylsulfonyl-2-methylpiperidin-4-amine has a molecular weight of 218.32 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-2-methylpiperidin-4-amine is sourced from PubChem (CID 115312667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).