1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine

C13H28N2O2S — CID 63834582

IUPAC1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(S(=O)(=O)CCC(C)C)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-8-14-13-5-9-15(10-6-13)18(16,17)11-7-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeySLZFQMWWYCFRAO-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.83
Rot. Bonds7

About 1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine

1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine (PubChem CID 63834582) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine
PubChem CID63834582
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(S(=O)(=O)CCC(C)C)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-8-14-13-5-9-15(10-6-13)18(16,17)11-7-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeySLZFQMWWYCFRAO-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
CID 55173688
N-pentyl-1-propylsulfonylpiperidin-4-amine
CID 43747927
N-heptyl-1-propylsulfonylpiperidin-4-amine
CID 43747983
1-(5-methylhexan-2-yl)-N-propylpiperidin-4-amine
CID 63925487
1-(3-methylbutylsulfonyl)piperidin-4-amine
CID 63834728
1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine
CID 60820125
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
CID 63853504
[1-(3-methylbutylsulfonyl)piperidin-4-yl]methanol
CID 63856417
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011
N-(4-methylsulfanylbutyl)-1-propylsulfonylpiperidin-4-amine
CID 103087749
1-[1-(3-methylbutylsulfonyl)piperidin-4-yl]ethanone
CID 63846086

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine (CID 63834582) is 1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine is CCCNC1CCN(S(=O)(=O)CCC(C)C)CC1.
What is the InChIKey of 1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine?
The InChIKey is SLZFQMWWYCFRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-8-14-13-5-9-15(10-6-13)18(16,17)11-7-12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine?
1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine has a molecular weight of 276.45 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 63834582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).