N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide

C14H24N2O2S — CID 143792094

IUPACN-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide
SMILESCN(CC1(C2C=CC=CC2)CCNCC1)S(C)(=O)=O
InChIInChI=1S/C14H24N2O2S/c1-16(19(2,17)18)12-14(8-10-15-11-9-14)13-6-4-3-5-7-13/h3-6,13,15H,7-12H2,1-2H3
InChIKeyCGHVHXSTDUPSLJ-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.38
Rot. Bonds4

About N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide

N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide (PubChem CID 143792094) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide
PubChem CID143792094
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide
SMILESCN(CC1(C2C=CC=CC2)CCNCC1)S(C)(=O)=O
InChIInChI=1S/C14H24N2O2S/c1-16(19(2,17)18)12-14(8-10-15-11-9-14)13-6-4-3-5-7-13/h3-6,13,15H,7-12H2,1-2H3
InChIKeyCGHVHXSTDUPSLJ-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Piperidin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfonamide
CID 69115799
N-(cyclohex-3-en-1-ylmethyl)-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 75431534
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 97326166
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine
CID 97326167
2,4,5,6-Tetramethyl-6-piperidin-4-ylcyclohexa-2,4-diene-1-sulfonamide
CID 67590135
cis-(1S,2R)-2-cyclohexa-2,4-dien-1-yl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopropan-1-amine
CID 70810901
4-(6-Sulfonylcyclohexa-2,4-dien-1-yl)piperidine
CID 87793965
4-(3-Methylsulfonylcyclohexa-2,4-dien-1-yl)piperidine
CID 126494263
4-(4-Tert-butylcyclohexa-1,5-dien-1-yl)sulfonylpiperidine
CID 143453002
7-methyl-1-methylsulfonylspiro[7,7a-dihydro-2H-indole-3,4'-piperidine]
CID 146963515
N-[5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide
CID 163914034
N-[6-methyl-5-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)cyclohexa-1,3-dien-1-yl]methanesulfonamide
CID 164035603

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide (CID 143792094) is N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide is CN(CC1(C2C=CC=CC2)CCNCC1)S(C)(=O)=O.
What is the InChIKey of N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide?
The InChIKey is CGHVHXSTDUPSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-16(19(2,17)18)12-14(8-10-15-11-9-14)13-6-4-3-5-7-13/h3-6,13,15H,7-12H2,1-2H3.
What are the key properties of N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide?
N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexa-2,4-dien-1-ylpiperidin-4-yl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 143792094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).