1-(3-methylbutylsulfonyl)piperidin-4-amine

C10H22N2O2S — CID 63834728

IUPAC1-(3-methylbutylsulfonyl)piperidin-4-amine
SMILESCC(C)CCS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C10H22N2O2S/c1-9(2)5-8-15(13,14)12-6-3-10(11)4-7-12/h9-10H,3-8,11H2,1-2H3
InChIKeyXHNRTMGORLRXNM-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.79
Rot. Bonds4

About 1-(3-methylbutylsulfonyl)piperidin-4-amine

1-(3-methylbutylsulfonyl)piperidin-4-amine (PubChem CID 63834728) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(3-methylbutylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbutylsulfonyl)piperidin-4-amine
PubChem CID63834728
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name1-(3-methylbutylsulfonyl)piperidin-4-amine
SMILESCC(C)CCS(=O)(=O)N1CCC(N)CC1
InChIInChI=1S/C10H22N2O2S/c1-9(2)5-8-15(13,14)12-6-3-10(11)4-7-12/h9-10H,3-8,11H2,1-2H3
InChIKeyXHNRTMGORLRXNM-UHFFFAOYSA-N
XLogP0.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylsulfonyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbutylsulfonyl)piperidin-4-amine (CID 63834728) is 1-(3-methylbutylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbutylsulfonyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbutylsulfonyl)piperidin-4-amine is CC(C)CCS(=O)(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(3-methylbutylsulfonyl)piperidin-4-amine?
The InChIKey is XHNRTMGORLRXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)5-8-15(13,14)12-6-3-10(11)4-7-12/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 1-(3-methylbutylsulfonyl)piperidin-4-amine?
1-(3-methylbutylsulfonyl)piperidin-4-amine has a molecular weight of 234.36 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 63834728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).