N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine

C16H28N4O2S+2 — CID 9453718

IUPACN-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine
SMILESC[NH+]1CCN(S(=O)(=O)c2ccc(NC3CCCCC3)[nH+]c2)CC1
InChIInChI=1S/C16H26N4O2S/c1-19-9-11-20(12-10-19)23(21,22)15-7-8-16(17-13-15)18-14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,17,18)/p+2
InChIKeyZKBCUEWSZRGTEJ-UHFFFAOYSA-P
MW340.49 g/mol
LogP-0.24
Rot. Bonds4

About N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine

N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine (PubChem CID 9453718) has the molecular formula C16H28N4O2S+2 and a molecular weight of 340.49 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine
PubChem CID9453718
Molecular FormulaC16H28N4O2S+2
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC NameN-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine
SMILESC[NH+]1CCN(S(=O)(=O)c2ccc(NC3CCCCC3)[nH+]c2)CC1
InChIInChI=1S/C16H26N4O2S/c1-19-9-11-20(12-10-19)23(21,22)15-7-8-16(17-13-15)18-14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,17,18)/p+2
InChIKeyZKBCUEWSZRGTEJ-UHFFFAOYSA-P
XLogP-0.24
TPSA67.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9282597
5-morpholin-4-ylsulfonyl-N-(1-propylpiperidin-1-ium-4-yl)pyridin-1-ium-2-amine
CID 8567123
1-methyl-4-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)sulfonylpiperazin-1-ium
CID 2450884
N-[(1R,2R)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9311722
N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
CID 7376460
N-cyclopropyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide
CID 7130388
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
2-[(2R)-2-methylpiperidin-1-yl]-5-piperidin-1-ylsulfonylpyridin-1-ium
CID 2118390
N-cyclopropyl-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
CID 9025506
N-(3-cyclohexyloxypropyl)-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
CID 9025296
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9282043

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine?
The IUPAC name of N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine (CID 9453718) is N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine.
What is the SMILES notation for N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine?
The canonical SMILES for N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine is C[NH+]1CCN(S(=O)(=O)c2ccc(NC3CCCCC3)[nH+]c2)CC1.
What is the InChIKey of N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine?
The InChIKey is ZKBCUEWSZRGTEJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H26N4O2S/c1-19-9-11-20(12-10-19)23(21,22)15-7-8-16(17-13-15)18-14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,17,18)/p+2.
What are the key properties of N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine?
N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine has a molecular weight of 340.49 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-amine is sourced from PubChem (CID 9453718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).