N-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine

C14H28N2O3S — CID 91916192

IUPACN-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine
SMILESCC(C)S(=O)(=O)N1CCC(N(C)C2CCOCC2)CC1
InChIInChI=1S/C14H28N2O3S/c1-12(2)20(17,18)16-8-4-13(5-9-16)15(3)14-6-10-19-11-7-14/h12-14H,4-11H2,1-3H3
InChIKeyUTXHNCGYKXAFDV-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.30
Rot. Bonds4

About N-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine

N-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine (PubChem CID 91916192) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine
PubChem CID91916192
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine
SMILESCC(C)S(=O)(=O)N1CCC(N(C)C2CCOCC2)CC1
InChIInChI=1S/C14H28N2O3S/c1-12(2)20(17,18)16-8-4-13(5-9-16)15(3)14-6-10-19-11-7-14/h12-14H,4-11H2,1-3H3
InChIKeyUTXHNCGYKXAFDV-UHFFFAOYSA-N
XLogP1.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(Oxan-4-YL)-N-(piperidin-4-YL)methanesulfonamide
CID 86820423
N-methyl-2-[(2R)-oxolan-2-yl]-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
CID 97600534
1-(Ethylsulfonyl)-4-morpholin-4-ylpiperidine
CID 806323
(2R)-2-methyl-4-(oxan-4-yl)-1-(3,3,3-trifluoropropylsulfonyl)piperazine
CID 137843184
(3S,4S)-3-fluoro-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 176015720
1-(Oxan-4-ylsulfonyl)piperidine
CID 63081544
1-(Oxan-4-ylsulfonyl)-4-propan-2-ylpiperazine
CID 126752827
1-(Oxan-4-yl)-4-propylsulfonylpiperazine
CID 141437226
[1-(Oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride
CID 156806252
4-(1-Propan-2-ylsulfonylpiperidin-4-yl)morpholine
CID 167370971
1-Methylimino-4-(oxan-4-yl)-1,4-thiazinane 1-oxide
CID 169566402
4-[1-(Ethylsulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 16475319

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine?
The IUPAC name of N-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine (CID 91916192) is N-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine is CC(C)S(=O)(=O)N1CCC(N(C)C2CCOCC2)CC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine?
The InChIKey is UTXHNCGYKXAFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12(2)20(17,18)16-8-4-13(5-9-16)15(3)14-6-10-19-11-7-14/h12-14H,4-11H2,1-3H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine?
N-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-1-propan-2-ylsulfonylpiperidin-4-amine is sourced from PubChem (CID 91916192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).