N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide

C13H26N4O3S — CID 106080694

IUPACN-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1cnn(CCNC(C)C)c1
InChIInChI=1S/C13H26N4O3S/c1-11(2)14-6-7-17-9-12(8-15-17)21(18,19)16-13(3,4)10-20-5/h8-9,11,14,16H,6-7,10H2,1-5H3
InChIKeyVCHGCDALRUZZSX-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.58
Rot. Bonds9

About N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide

N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 106080694) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID106080694
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1cnn(CCNC(C)C)c1
InChIInChI=1S/C13H26N4O3S/c1-11(2)14-6-7-17-9-12(8-15-17)21(18,19)16-13(3,4)10-20-5/h8-9,11,14,16H,6-7,10H2,1-5H3
InChIKeyVCHGCDALRUZZSX-UHFFFAOYSA-N
XLogP0.58
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 106072011
1-[2-(propan-2-ylamino)ethyl]-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 106033533
N-(1-cyclopropylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide
CID 106065825
N-(2-methylbutan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106031589
1-[2-(propan-2-ylamino)ethyl]pyrazole-4-carboxylic acid
CID 162751377
1-(2-hydroxyethyl)-N-(3-methylpentan-3-yl)pyrazole-4-sulfonamide
CID 106331651
1-[3-(propan-2-ylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031633
N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 120709265
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461
1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide
CID 106057062
N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106053678

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide (CID 106080694) is N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide is COCC(C)(C)NS(=O)(=O)c1cnn(CCNC(C)C)c1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is VCHGCDALRUZZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-11(2)14-6-7-17-9-12(8-15-17)21(18,19)16-13(3,4)10-20-5/h8-9,11,14,16H,6-7,10H2,1-5H3.
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide?
N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 0.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106080694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).