N-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide

C15H32N2O2S — CID 70811674

IUPACN-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide
SMILESCCC(C)(C)N(CC1CCCCN1C(C)C)S(C)(=O)=O
InChIInChI=1S/C15H32N2O2S/c1-7-15(4,5)17(20(6,18)19)12-14-10-8-9-11-16(14)13(2)3/h13-14H,7-12H2,1-6H3
InChIKeyZSYITDJFBSEOKY-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.70
Rot. Bonds6

About N-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide

N-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide (PubChem CID 70811674) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide
PubChem CID70811674
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC NameN-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide
SMILESCCC(C)(C)N(CC1CCCCN1C(C)C)S(C)(=O)=O
InChIInChI=1S/C15H32N2O2S/c1-7-15(4,5)17(20(6,18)19)12-14-10-8-9-11-16(14)13(2)3/h13-14H,7-12H2,1-6H3
InChIKeyZSYITDJFBSEOKY-UHFFFAOYSA-N
XLogP2.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide (CID 70811674) is N-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide is CCC(C)(C)N(CC1CCCCN1C(C)C)S(C)(=O)=O.
What is the InChIKey of N-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide?
The InChIKey is ZSYITDJFBSEOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-7-15(4,5)17(20(6,18)19)12-14-10-8-9-11-16(14)13(2)3/h13-14H,7-12H2,1-6H3.
What are the key properties of N-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide?
N-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide has a molecular weight of 304.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpiperidin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 70811674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).