3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide

C16H27N3O2S — CID 119979534

IUPAC3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC2CCCNC2)cc1N(C)C
InChIInChI=1S/C16H27N3O2S/c1-13-6-7-15(11-16(13)19(2)3)22(20,21)18-10-8-14-5-4-9-17-12-14/h6-7,11,14,17-18H,4-5,8-10,12H2,1-3H3
InChIKeyYYUZFUKFPWTNHX-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.73
Rot. Bonds6

About 3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide

3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 119979534) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID119979534
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC2CCCNC2)cc1N(C)C
InChIInChI=1S/C16H27N3O2S/c1-13-6-7-15(11-16(13)19(2)3)22(20,21)18-10-8-14-5-4-9-17-12-14/h6-7,11,14,17-18H,4-5,8-10,12H2,1-3H3
InChIKeyYYUZFUKFPWTNHX-UHFFFAOYSA-N
XLogP1.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895184
4-bromo-3-methyl-N-[2-[(3S)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 98571467
3-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979191
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 63629233
2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124690405
4-(4-methoxyphenoxy)-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979446
4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 119979324
2,6-dimethyl-4-nitro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979216

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide (CID 119979534) is 3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC2CCCNC2)cc1N(C)C.
What is the InChIKey of 3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is YYUZFUKFPWTNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-13-6-7-15(11-16(13)19(2)3)22(20,21)18-10-8-14-5-4-9-17-12-14/h6-7,11,14,17-18H,4-5,8-10,12H2,1-3H3.
What are the key properties of 3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 325.48 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 119979534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).