2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide

C12H21N5O2S — CID 62143446

IUPAC2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC2CCN(C)CC2)cn1
InChIInChI=1S/C12H21N5O2S/c1-3-13-12-14-8-11(9-15-12)20(18,19)16-10-4-6-17(2)7-5-10/h8-10,16H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyFQSJRRZHSXYDTH-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.28
Rot. Bonds5

About 2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide

2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide (PubChem CID 62143446) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide
PubChem CID62143446
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC2CCN(C)CC2)cn1
InChIInChI=1S/C12H21N5O2S/c1-3-13-12-14-8-11(9-15-12)20(18,19)16-10-4-6-17(2)7-5-10/h8-10,16H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyFQSJRRZHSXYDTH-UHFFFAOYSA-N
XLogP0.28
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide
CID 64669851
N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 64733725
2-(ethylamino)-N-(3-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 64741289
N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62147723
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
2-(ethylamino)-N-piperidin-1-ylpyrimidine-5-sulfonamide
CID 83022830
N-(1-butylpiperidin-4-yl)-2-chloropyrimidine-5-sulfonamide
CID 61050841
N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867
2-(ethylamino)-N-(1-methylpyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62146781
1-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025089
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-N-ethylpyrimidin-2-amine
CID 62930000
1-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025603

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide (CID 62143446) is 2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NC2CCN(C)CC2)cn1.
What is the InChIKey of 2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide?
The InChIKey is FQSJRRZHSXYDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-3-13-12-14-8-11(9-15-12)20(18,19)16-10-4-6-17(2)7-5-10/h8-10,16H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide?
2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62143446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).