N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride

C16H28ClN3O4S2 — CID 119982575

IUPACN-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C16H27N3O4S2.ClH/c1-13-7-8-15(24(20,21)19-9-5-4-6-10-19)11-16(13)25(22,23)18(3)14(2)12-17;/h7-8,11,14H,4-6,9-10,12,17H2,1-3H3;1H
InChIKeyNYOGQSBMCVYJLC-UHFFFAOYSA-N
MW426.00 g/mol
LogP1.56
Rot. Bonds6

About N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride

N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride (PubChem CID 119982575) has the molecular formula C16H28ClN3O4S2 and a molecular weight of 426.00 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
PubChem CID119982575
Molecular FormulaC16H28ClN3O4S2
Molecular Weight426.00 g/mol
Exact Mass425.12
IUPAC NameN-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C16H27N3O4S2.ClH/c1-13-7-8-15(24(20,21)19-9-5-4-6-10-19)11-16(13)25(22,23)18(3)14(2)12-17;/h7-8,11,14H,4-6,9-10,12,17H2,1-3H3;1H
InChIKeyNYOGQSBMCVYJLC-UHFFFAOYSA-N
XLogP1.56
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.00
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
CID 106919079
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine
CID 82026814
1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168512938
2-methyl-5-piperidin-1-ylsulfonyl-N,N-dipropylbenzamide
CID 55347248
1-(3,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799629
N,N-dimethyl-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 859979
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119982527
2-methyl-4-piperidin-1-ylsulfonylphenol
CID 138059728
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzenesulfonamide;hydrochloride
CID 119982500
1-[3-(2,5-dimethylpyrrol-1-yl)-4-methylphenyl]sulfonylpiperidine
CID 2359920
N-[(2S)-1-aminopropan-2-yl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 120509212

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride (CID 119982575) is N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N(C)C(C)CN.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
The InChIKey is NYOGQSBMCVYJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S2.ClH/c1-13-7-8-15(24(20,21)19-9-5-4-6-10-19)11-16(13)25(22,23)18(3)14(2)12-17;/h7-8,11,14H,4-6,9-10,12,17H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride?
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride has a molecular weight of 426.00 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119982575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).