5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide

C12H16N4O3S — CID 106088603

IUPAC5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)Nc2cncnc2)o1
InChIInChI=1S/C12H16N4O3S/c1-9(2)15-7-11-3-4-12(19-11)20(17,18)16-10-5-13-8-14-6-10/h3-6,8-9,15-16H,7H2,1-2H3
InChIKeyVPWGWJZTZZSVJH-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.37
Rot. Bonds6

About 5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide

5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide (PubChem CID 106088603) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide
PubChem CID106088603
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)Nc2cncnc2)o1
InChIInChI=1S/C12H16N4O3S/c1-9(2)15-7-11-3-4-12(19-11)20(17,18)16-10-5-13-8-14-6-10/h3-6,8-9,15-16H,7H2,1-2H3
InChIKeyVPWGWJZTZZSVJH-UHFFFAOYSA-N
XLogP1.37
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide
CID 106088778
N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 102701241
N-piperidin-1-yl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 83024047
4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588980
5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)furan-2-sulfonamide
CID 82940349
N-(3,3-dimethylcyclopentyl)-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 114541502
N-[2-(cyclopenten-1-yl)ethyl]-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 106177078
5-[(propan-2-ylamino)methyl]-N-(2-prop-2-enylsulfanylethyl)furan-2-sulfonamide
CID 106433444
3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588979
N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 62902953
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)furan-2-yl]methyl]propan-2-amine
CID 115562686

Frequently Asked Questions

What is the IUPAC name of 5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide?
The IUPAC name of 5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide (CID 106088603) is 5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide.
What is the SMILES notation for 5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide?
The canonical SMILES for 5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide is CC(C)NCc1ccc(S(=O)(=O)Nc2cncnc2)o1.
What is the InChIKey of 5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide?
The InChIKey is VPWGWJZTZZSVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-9(2)15-7-11-3-4-12(19-11)20(17,18)16-10-5-13-8-14-6-10/h3-6,8-9,15-16H,7H2,1-2H3.
What are the key properties of 5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide?
5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(propan-2-ylamino)methyl]-N-pyrimidin-5-ylfuran-2-sulfonamide is sourced from PubChem (CID 106088603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).