N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide

C15H24N2O4S2 — CID 110291803

IUPACN-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(CCNS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O4S2/c1-13-5-3-4-12-17(13)23(20,21)15-8-6-14(7-9-15)10-11-16-22(2,18)19/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyCUUGVSWHNSMIEV-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.34
Rot. Bonds6

About N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide

N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide (PubChem CID 110291803) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
PubChem CID110291803
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC NameN-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(CCNS(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O4S2/c1-13-5-3-4-12-17(13)23(20,21)15-8-6-14(7-9-15)10-11-16-22(2,18)19/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyCUUGVSWHNSMIEV-UHFFFAOYSA-N
XLogP1.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634
1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309157
3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine
CID 167859641
1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309158
ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate
CID 110291797
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
CID 110291796
1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110630199
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 46431882
1-(4-ethylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27525385

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide (CID 110291803) is N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide is CC1CCCCN1S(=O)(=O)c1ccc(CCNS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide?
The InChIKey is CUUGVSWHNSMIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-13-5-3-4-12-17(13)23(20,21)15-8-6-14(7-9-15)10-11-16-22(2,18)19/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide?
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide has a molecular weight of 360.50 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 110291803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).