N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide

C17H28N2O4S2 — CID 27521347

IUPACN-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1
InChIInChI=1S/C17H28N2O4S2/c1-4-5-10-24(20,21)18-16-6-8-17(9-7-16)25(22,23)19-12-14(2)11-15(3)13-19/h6-9,14-15,18H,4-5,10-13H2,1-3H3/t14-,15+
InChIKeyLVJZDTHYGOXBFQ-GASCZTMLSA-N
MW388.56 g/mol
LogP2.89
Rot. Bonds7

About N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide

N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide (PubChem CID 27521347) has the molecular formula C17H28N2O4S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide
PubChem CID27521347
Molecular FormulaC17H28N2O4S2
Molecular Weight388.56 g/mol
Exact Mass388.15
IUPAC NameN-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1
InChIInChI=1S/C17H28N2O4S2/c1-4-5-10-24(20,21)18-16-6-8-17(9-7-16)25(22,23)19-12-14(2)11-15(3)13-19/h6-9,14-15,18H,4-5,10-13H2,1-3H3/t14-,15+
InChIKeyLVJZDTHYGOXBFQ-GASCZTMLSA-N
XLogP2.89
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide
CID 86819856
N-[4-(2,3-dimethylpiperazin-1-yl)sulfonylphenyl]butane-1-sulfonamide
CID 120725464
1-(4-butylphenyl)-3-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 29057113
N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
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N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide
CID 27528641
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 17263026
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
(3S,5S)-3,5-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidine
CID 2294126
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 94176618
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 50987777
3,5-dimethyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
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(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide (CID 27521347) is N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1.
What is the InChIKey of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide?
The InChIKey is LVJZDTHYGOXBFQ-GASCZTMLSA-N. The full InChI is InChI=1S/C17H28N2O4S2/c1-4-5-10-24(20,21)18-16-6-8-17(9-7-16)25(22,23)19-12-14(2)11-15(3)13-19/h6-9,14-15,18H,4-5,10-13H2,1-3H3/t14-,15+.
What are the key properties of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide?
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide has a molecular weight of 388.56 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide is sourced from PubChem (CID 27521347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).