N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C18H30N4O3S2 — CID 133338051

IUPACN-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCCS(=O)C1CCCC(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1
InChIInChI=1S/C18H30N4O3S2/c1-3-26(23)16-6-4-5-15(13-16)20-18-8-7-17(14-19-18)27(24,25)22-11-9-21(2)10-12-22/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,19,20)
InChIKeyXPLQUGLOOWFHIZ-UHFFFAOYSA-N
MW414.60 g/mol
LogP1.51
Rot. Bonds6

About N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 133338051) has the molecular formula C18H30N4O3S2 and a molecular weight of 414.60 g/mol. Its IUPAC name is N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID133338051
Molecular FormulaC18H30N4O3S2
Molecular Weight414.60 g/mol
Exact Mass414.18
IUPAC NameN-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCCS(=O)C1CCCC(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1
InChIInChI=1S/C18H30N4O3S2/c1-3-26(23)16-6-4-5-15(13-16)20-18-8-7-17(14-19-18)27(24,25)22-11-9-21(2)10-12-22/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,19,20)
InChIKeyXPLQUGLOOWFHIZ-UHFFFAOYSA-N
XLogP1.51
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.60
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 55519421
N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133277663
N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
N-(3-ethylsulfinylcyclohexyl)-4-nitro-2-pyrrolidin-1-ylsulfonylaniline
CID 133338058
2-[6-[(3-ethylsulfinylcyclohexyl)amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137269920
N-cyclopent-3-en-1-yl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133362074
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133293070
N-[(1-methoxycyclobutyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133459900
N-cycloheptyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
CID 7593969
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268226

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 133338051) is N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CCS(=O)C1CCCC(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1.
What is the InChIKey of N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is XPLQUGLOOWFHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S2/c1-3-26(23)16-6-4-5-15(13-16)20-18-8-7-17(14-19-18)27(24,25)22-11-9-21(2)10-12-22/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,19,20).
What are the key properties of N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 414.60 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 133338051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).