N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

C21H35N5O2S — CID 133277663

IUPACN-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(NC3CCN(CC4CCCC4)CC3)nc2)CC1
InChIInChI=1S/C21H35N5O2S/c1-24-12-14-26(15-13-24)29(27,28)20-6-7-21(22-16-20)23-19-8-10-25(11-9-19)17-18-4-2-3-5-18/h6-7,16,18-19H,2-5,8-15,17H2,1H3,(H,22,23)
InChIKeyYPIPDTIXKCEQRU-UHFFFAOYSA-N
MW421.61 g/mol
LogP2.08
Rot. Bonds6

About N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine

N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 133277663) has the molecular formula C21H35N5O2S and a molecular weight of 421.61 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID133277663
Molecular FormulaC21H35N5O2S
Molecular Weight421.61 g/mol
Exact Mass421.25
IUPAC NameN-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(NC3CCN(CC4CCCC4)CC3)nc2)CC1
InChIInChI=1S/C21H35N5O2S/c1-24-12-14-26(15-13-24)29(27,28)20-6-7-21(22-16-20)23-19-8-10-25(11-9-19)17-18-4-2-3-5-18/h6-7,16,18-19H,2-5,8-15,17H2,1H3,(H,22,23)
InChIKeyYPIPDTIXKCEQRU-UHFFFAOYSA-N
XLogP2.08
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 52.08
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-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133305299
N-(3-ethylsulfinylcyclohexyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133338051
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
2-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376514
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133293070
N-cyclopent-3-en-1-yl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133362074
(E)-3-[6-[[1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-pyridinyl]prop-2-enoic acid
CID 68961913
N-cycloheptyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
CID 7593969
3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 55365489
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148
(2S)-N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
CID 7778984

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 133277663) is N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is CN1CCN(S(=O)(=O)c2ccc(NC3CCN(CC4CCCC4)CC3)nc2)CC1.
What is the InChIKey of N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is YPIPDTIXKCEQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2S/c1-24-12-14-26(15-13-24)29(27,28)20-6-7-21(22-16-20)23-19-8-10-25(11-9-19)17-18-4-2-3-5-18/h6-7,16,18-19H,2-5,8-15,17H2,1H3,(H,22,23).
What are the key properties of N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine?
N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 421.61 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 133277663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).