N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide

C12H22N4O3S — CID 62158251

IUPACN-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NC(C)COCC)cn1
InChIInChI=1S/C12H22N4O3S/c1-4-6-13-12-14-7-11(8-15-12)20(17,18)16-10(3)9-19-5-2/h7-8,10,16H,4-6,9H2,1-3H3,(H,13,14,15)
InChIKeyUUAQNETTXXMYPY-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.00
Rot. Bonds9

About N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide

N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide (PubChem CID 62158251) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide
PubChem CID62158251
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NC(C)COCC)cn1
InChIInChI=1S/C12H22N4O3S/c1-4-6-13-12-14-7-11(8-15-12)20(17,18)16-10(3)9-19-5-2/h7-8,10,16H,4-6,9H2,1-3H3,(H,13,14,15)
InChIKeyUUAQNETTXXMYPY-UHFFFAOYSA-N
XLogP1.00
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957316
N-(1-ethoxypropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62158252
N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62147457
4-N-(1-ethoxypropan-2-yl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80813857
N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106054208
N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide
CID 106054391
N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 55044291
2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide
CID 43456403
N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62144387
4-(2-aminoethoxy)-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054212
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-sulfonamide
CID 82940765
N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62150752

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide (CID 62158251) is N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)NC(C)COCC)cn1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
The InChIKey is UUAQNETTXXMYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-4-6-13-12-14-7-11(8-15-12)20(17,18)16-10(3)9-19-5-2/h7-8,10,16H,4-6,9H2,1-3H3,(H,13,14,15).
What are the key properties of N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2-(propylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62158251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).