2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide

C12H16N4O2S2 — CID 62142703

IUPAC2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NCc2cccs2)cn1
InChIInChI=1S/C12H16N4O2S2/c1-2-5-13-12-14-8-11(9-15-12)20(17,18)16-7-10-4-3-6-19-10/h3-4,6,8-9,16H,2,5,7H2,1H3,(H,13,14,15)
InChIKeyZQMXSNMDIPHLNQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.84
Rot. Bonds7

About 2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide

2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 62142703) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID62142703
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NCc2cccs2)cn1
InChIInChI=1S/C12H16N4O2S2/c1-2-5-13-12-14-8-11(9-15-12)20(17,18)16-7-10-4-3-6-19-10/h3-4,6,8-9,16H,2,5,7H2,1H3,(H,13,14,15)
InChIKeyZQMXSNMDIPHLNQ-UHFFFAOYSA-N
XLogP1.84
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide
CID 62144877
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide
CID 62157737
N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62147457
5,6-dichloro-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 64622728
2-(propylamino)-N-thiophen-3-ylpyrimidine-5-sulfonamide
CID 66353570
6-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62144358
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
N-(thiophen-2-ylmethyl)-3-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3453501
2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324519
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
2-(ethylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 62143225
N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62144387

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide (CID 62142703) is 2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)NCc2cccs2)cn1.
What is the InChIKey of 2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is ZQMXSNMDIPHLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-2-5-13-12-14-8-11(9-15-12)20(17,18)16-7-10-4-3-6-19-10/h3-4,6,8-9,16H,2,5,7H2,1H3,(H,13,14,15).
What are the key properties of 2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide?
2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62142703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).