N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide

C12H20N4O3S — CID 82735971

IUPACN-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NC2CCOC2C)cn1
InChIInChI=1S/C12H20N4O3S/c1-3-5-13-12-14-7-10(8-15-12)20(17,18)16-11-4-6-19-9(11)2/h7-9,11,16H,3-6H2,1-2H3,(H,13,14,15)
InChIKeySSHIDOBTGJZNKQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.75
Rot. Bonds6

About N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide

N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide (PubChem CID 82735971) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide
PubChem CID82735971
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NC2CCOC2C)cn1
InChIInChI=1S/C12H20N4O3S/c1-3-5-13-12-14-7-10(8-15-12)20(17,18)16-11-4-6-19-9(11)2/h7-9,11,16H,3-6H2,1-2H3,(H,13,14,15)
InChIKeySSHIDOBTGJZNKQ-UHFFFAOYSA-N
XLogP0.75
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62147723
5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 82729058
5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82735861
N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106076162
N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62148028
4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076304
4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076129
2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide
CID 82743253
N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62147457
N-(2-methylcyclopropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 55071630
2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106076177
N-(2-methylcyclohexyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62144356

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide (CID 82735971) is N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)NC2CCOC2C)cn1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
The InChIKey is SSHIDOBTGJZNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-5-13-12-14-7-10(8-15-12)20(17,18)16-11-4-6-19-9(11)2/h7-9,11,16H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 82735971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).