1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine

C14H26N2O3S — CID 79895699

IUPAC1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C14H26N2O3S/c1-20(17,18)16-8-3-12(4-9-16)15-13-5-10-19-14(11-13)6-2-7-14/h12-13,15H,2-11H2,1H3
InChIKeyDNOSIWDMSZNODL-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.10
Rot. Bonds3

About 1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine

1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine (PubChem CID 79895699) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
PubChem CID79895699
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NC2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C14H26N2O3S/c1-20(17,18)16-8-3-12(4-9-16)15-13-5-10-19-14(11-13)6-2-7-14/h12-13,15H,2-11H2,1H3
InChIKeyDNOSIWDMSZNODL-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate
CID 71915372
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895341
N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895018
1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79898198
N-(oxan-3-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903513
N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine
CID 43432065
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
CID 65074446
3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 113260472

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine (CID 79895699) is 1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine is CS(=O)(=O)N1CCC(NC2CCOC3(CCC3)C2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine?
The InChIKey is DNOSIWDMSZNODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-20(17,18)16-8-3-12(4-9-16)15-13-5-10-19-14(11-13)6-2-7-14/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine?
1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine has a molecular weight of 302.44 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine is sourced from PubChem (CID 79895699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).