5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine

C22H30N4O2S — CID 55465237

IUPAC5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(NCC3(c4ccccc4)CCCC3)nc2)CC1
InChIInChI=1S/C22H30N4O2S/c1-25-13-15-26(16-14-25)29(27,28)20-9-10-21(23-17-20)24-18-22(11-5-6-12-22)19-7-3-2-4-8-19/h2-4,7-10,17H,5-6,11-16,18H2,1H3,(H,23,24)
InChIKeyOVFFVXGDUKADOR-UHFFFAOYSA-N
MW414.58 g/mol
LogP2.94
Rot. Bonds6

About 5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine

5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine (PubChem CID 55465237) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine
PubChem CID55465237
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(NCC3(c4ccccc4)CCCC3)nc2)CC1
InChIInChI=1S/C22H30N4O2S/c1-25-13-15-26(16-14-25)29(27,28)20-9-10-21(23-17-20)24-18-22(11-5-6-12-22)19-7-3-2-4-8-19/h2-4,7-10,17H,5-6,11-16,18H2,1H3,(H,23,24)
InChIKeyOVFFVXGDUKADOR-UHFFFAOYSA-N
XLogP2.94
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine
CID 47018135
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133466589
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 60570237
N-[(1-methoxycyclobutyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133459900
5-(4-methylpiperazin-1-yl)sulfonyl-N-(2-phenylethyl)pyridin-2-amine
CID 55346524
4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-2-phenylbutan-2-ol
CID 133495668
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 60570236
2-N,2-N-dimethyl-1-N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-phenylpropane-1,2-diamine
CID 55346850
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133405566
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55346504

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine (CID 55465237) is 5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine is CN1CCN(S(=O)(=O)c2ccc(NCC3(c4ccccc4)CCCC3)nc2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine?
The InChIKey is OVFFVXGDUKADOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-25-13-15-26(16-14-25)29(27,28)20-9-10-21(23-17-20)24-18-22(11-5-6-12-22)19-7-3-2-4-8-19/h2-4,7-10,17H,5-6,11-16,18H2,1H3,(H,23,24).
What are the key properties of 5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine?
5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine has a molecular weight of 414.58 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine is sourced from PubChem (CID 55465237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).