1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine

C13H26N2O3S — CID 170623179

IUPAC1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
SMILESCCCCS(=O)(=O)N1CCC(NCC2COC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-2-3-8-19(16,17)15-6-4-13(5-7-15)14-9-12-10-18-11-12/h12-14H,2-11H2,1H3
InChIKeyXLPJERLSMMVJOP-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.82
Rot. Bonds7

About 1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine

1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine (PubChem CID 170623179) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
PubChem CID170623179
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine
SMILESCCCCS(=O)(=O)N1CCC(NCC2COC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-2-3-8-19(16,17)15-6-4-13(5-7-15)14-9-12-10-18-11-12/h12-14H,2-11H2,1H3
InChIKeyXLPJERLSMMVJOP-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009641
3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 63289803
N-(3-methoxypropyl)piperidine-4-sulfonamide
CID 61549677
1-((2-Methoxyethyl)sulfonyl)piperidin-4-amine
CID 61608559
2-methyl-N-piperidin-4-yl-N-propylpropane-1-sulfonamide
CID 64478634
1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide
CID 68822827
1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide
CID 68824374
1-[3-(1-Methoxypropan-2-ylamino)propylsulfonyl]piperidin-4-amine
CID 70954559
1-methoxy-N-(3-piperidin-1-ylsulfonylpropyl)propan-2-amine
CID 91277554
1-(3-Methoxy-3-methylbutyl)sulfonylpiperidin-4-amine
CID 161104551
1-(2-Methoxyethylsulfinyl)piperidin-4-amine
CID 167193735
1-butylsulfonyl-N-(2-methoxyethyl)piperidin-4-amine
CID 170623188

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine (CID 170623179) is 1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine is CCCCS(=O)(=O)N1CCC(NCC2COC2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine?
The InChIKey is XLPJERLSMMVJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-2-3-8-19(16,17)15-6-4-13(5-7-15)14-9-12-10-18-11-12/h12-14H,2-11H2,1H3.
What are the key properties of 1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine?
1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine has a molecular weight of 290.43 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(oxetan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 170623179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).