N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide

C12H24N4O3S — CID 106078834

IUPACN-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1[nH]ncc1CNC(C)C
InChIInChI=1S/C12H24N4O3S/c1-5-19-10(4)6-15-20(17,18)12-11(8-14-16-12)7-13-9(2)3/h8-10,13,15H,5-7H2,1-4H3,(H,14,16)
InChIKeyLOTNSSCUYGQHOG-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.61
Rot. Bonds9

About N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide

N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106078834) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID106078834
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC NameN-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1[nH]ncc1CNC(C)C
InChIInChI=1S/C12H24N4O3S/c1-5-19-10(4)6-15-20(17,18)12-11(8-14-16-12)7-13-9(2)3/h8-10,13,15H,5-7H2,1-4H3,(H,14,16)
InChIKeyLOTNSSCUYGQHOG-UHFFFAOYSA-N
XLogP0.61
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxypropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106078744
N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106027031
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106055677
N-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 102701565
N-[2-(2,2-difluoroethoxy)ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106091929
N-(1H-imidazol-2-ylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106069346
4-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106071704
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106086089
2-ethoxypropylsulfamic acid
CID 174221196
N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 107818708

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide (CID 106078834) is N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide is CCOC(C)CNS(=O)(=O)c1[nH]ncc1CNC(C)C.
What is the InChIKey of N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is LOTNSSCUYGQHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-5-19-10(4)6-15-20(17,18)12-11(8-14-16-12)7-13-9(2)3/h8-10,13,15H,5-7H2,1-4H3,(H,14,16).
What are the key properties of N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 0.61, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106078834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).