2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine

C14H28N2O3S — CID 83033412

IUPAC2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine
SMILESCC1(C)CC(NCC2CCCN(S(C)(=O)=O)C2)CCO1
InChIInChI=1S/C14H28N2O3S/c1-14(2)9-13(6-8-19-14)15-10-12-5-4-7-16(11-12)20(3,17)18/h12-13,15H,4-11H2,1-3H3
InChIKeyJUXNLJWEXNUPEB-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.21
Rot. Bonds4

About 2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine

2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine (PubChem CID 83033412) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine
PubChem CID83033412
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine
SMILESCC1(C)CC(NCC2CCCN(S(C)(=O)=O)C2)CCO1
InChIInChI=1S/C14H28N2O3S/c1-14(2)9-13(6-8-19-14)15-10-12-5-4-7-16(11-12)20(3,17)18/h12-13,15H,4-11H2,1-3H3
InChIKeyJUXNLJWEXNUPEB-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 79612064
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 79611466
1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 80685304
3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine
CID 116539806
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine
CID 79612688
1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79609473
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol
CID 79609730
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
CID 103746760
N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine
CID 63880154
4-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79605512

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine (CID 83033412) is 2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine is CC1(C)CC(NCC2CCCN(S(C)(=O)=O)C2)CCO1.
What is the InChIKey of 2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine?
The InChIKey is JUXNLJWEXNUPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-14(2)9-13(6-8-19-14)15-10-12-5-4-7-16(11-12)20(3,17)18/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine?
2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine has a molecular weight of 304.46 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine is sourced from PubChem (CID 83033412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).