1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine

C17H26N2O3S — CID 91906099

IUPAC1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine
SMILESCN(C1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-18(16-9-13-22-14-10-16)15-7-11-19(12-8-15)23(20,21)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3
InChIKeyQNSGOTJRJWDNMF-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.95
Rot. Bonds4

About 1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine

1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 91906099) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine
PubChem CID91906099
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine
SMILESCN(C1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-18(16-9-13-22-14-10-16)15-7-11-19(12-8-15)23(20,21)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3
InChIKeyQNSGOTJRJWDNMF-UHFFFAOYSA-N
XLogP1.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine (CID 91906099) is 1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine is CN(C1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is QNSGOTJRJWDNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-18(16-9-13-22-14-10-16)15-7-11-19(12-8-15)23(20,21)17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine?
1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 338.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-methyl-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 91906099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).