1-cyclopropylsulfonyl-N-methylpiperidin-4-amine

C9H18N2O2S — CID 64555323

IUPAC1-cyclopropylsulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C9H18N2O2S/c1-10-8-4-6-11(7-5-8)14(12,13)9-2-3-9/h8-10H,2-7H2,1H3
InChIKeyNYIXRVQBRDPZER-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.16
Rot. Bonds3

About 1-cyclopropylsulfonyl-N-methylpiperidin-4-amine

1-cyclopropylsulfonyl-N-methylpiperidin-4-amine (PubChem CID 64555323) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-methylpiperidin-4-amine
PubChem CID64555323
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-cyclopropylsulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C9H18N2O2S/c1-10-8-4-6-11(7-5-8)14(12,13)9-2-3-9/h8-10H,2-7H2,1H3
InChIKeyNYIXRVQBRDPZER-UHFFFAOYSA-N
XLogP0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-cyclopropylsulfonyl-N-methylpiperidin-4-amine (CID 64555323) is 1-cyclopropylsulfonyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-cyclopropylsulfonyl-N-methylpiperidin-4-amine is CNC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-methylpiperidin-4-amine?
The InChIKey is NYIXRVQBRDPZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-10-8-4-6-11(7-5-8)14(12,13)9-2-3-9/h8-10H,2-7H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-N-methylpiperidin-4-amine?
1-cyclopropylsulfonyl-N-methylpiperidin-4-amine has a molecular weight of 218.32 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 64555323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).