2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide

C12H19N5O3S — CID 64669851

IUPAC2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC2CCC(=O)N(C)C2)cn1
InChIInChI=1S/C12H19N5O3S/c1-3-13-12-14-6-10(7-15-12)21(19,20)16-9-4-5-11(18)17(2)8-9/h6-7,9,16H,3-5,8H2,1-2H3,(H,13,14,15)
InChIKeySFILDDXJKIDFHS-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.19
Rot. Bonds5

About 2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide

2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide (PubChem CID 64669851) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide
PubChem CID64669851
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC2CCC(=O)N(C)C2)cn1
InChIInChI=1S/C12H19N5O3S/c1-3-13-12-14-6-10(7-15-12)21(19,20)16-9-4-5-11(18)17(2)8-9/h6-7,9,16H,3-5,8H2,1-2H3,(H,13,14,15)
InChIKeySFILDDXJKIDFHS-UHFFFAOYSA-N
XLogP-0.19
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide
CID 62143446
5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 64669013
N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 131898317
N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 64733725
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64670246
2-(ethylamino)-N-(3-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 64741289
3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide
CID 64656103
4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64669034
4-cyano-3-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 106833317
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 82843888
1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
CID 64670233

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide (CID 64669851) is 2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NC2CCC(=O)N(C)C2)cn1.
What is the InChIKey of 2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide?
The InChIKey is SFILDDXJKIDFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-3-13-12-14-6-10(7-15-12)21(19,20)16-9-4-5-11(18)17(2)8-9/h6-7,9,16H,3-5,8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide?
2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of -0.19, 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-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 64669851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).