[4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine

C12H26N2O3S — CID 107160245

IUPAC[4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine
SMILESCC(C)OCCS(=O)(=O)N1CCC(C)(CN)CC1
InChIInChI=1S/C12H26N2O3S/c1-11(2)17-8-9-18(15,16)14-6-4-12(3,10-13)5-7-14/h11H,4-10,13H2,1-3H3
InChIKeyYYXKRIGENCUFGK-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.80
Rot. Bonds6

About [4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine

[4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine (PubChem CID 107160245) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is [4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine
PubChem CID107160245
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name[4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine
SMILESCC(C)OCCS(=O)(=O)N1CCC(C)(CN)CC1
InChIInChI=1S/C12H26N2O3S/c1-11(2)17-8-9-18(15,16)14-6-4-12(3,10-13)5-7-14/h11H,4-10,13H2,1-3H3
InChIKeyYYXKRIGENCUFGK-UHFFFAOYSA-N
XLogP0.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbothioamide
CID 107161256
N'-hydroxy-4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carboximidamide
CID 107162672
1-(2-propan-2-yloxyethylsulfonyl)azepane
CID 79229911
[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777858
1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79229270
3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 79594001
[1-(2-ethoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777128
4-(aminomethyl)-4-methylpiperidine-1-sulfonamide
CID 107160182
3,3-dimethyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 82994734
4-(1-chloroethyl)-1-(2-propan-2-yloxyethylsulfonyl)piperidine
CID 106839507
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 79594313
3-propan-2-yl-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 106982928

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine?
The IUPAC name of [4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine (CID 107160245) is [4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine is CC(C)OCCS(=O)(=O)N1CCC(C)(CN)CC1.
What is the InChIKey of [4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine?
The InChIKey is YYXKRIGENCUFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-11(2)17-8-9-18(15,16)14-6-4-12(3,10-13)5-7-14/h11H,4-10,13H2,1-3H3.
What are the key properties of [4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine?
[4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine has a molecular weight of 278.42 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 107160245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).