1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide

C11H19N3O3S2 — CID 106002272

IUPAC1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2cnn(CCCO)c2)CC1
InChIInChI=1S/C11H19N3O3S2/c1-18-11(3-4-11)9-13-19(16,17)10-7-12-14(8-10)5-2-6-15/h7-8,13,15H,2-6,9H2,1H3
InChIKeyGIFVEDJTXQUPNB-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.44
Rot. Bonds8

About 1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide

1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide (PubChem CID 106002272) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide
PubChem CID106002272
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2cnn(CCCO)c2)CC1
InChIInChI=1S/C11H19N3O3S2/c1-18-11(3-4-11)9-13-19(16,17)10-7-12-14(8-10)5-2-6-15/h7-8,13,15H,2-6,9H2,1H3
InChIKeyGIFVEDJTXQUPNB-UHFFFAOYSA-N
XLogP0.44
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 106001861
1-[2-(ethylamino)ethyl]-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazole-4-sulfonamide
CID 106090606
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
CID 107455994
1-(2-hydroxyethyl)-N-(2-methyl-2-methylsulfanylpropyl)pyrazole-4-sulfonamide
CID 114135493
1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide
CID 79357659
1-(3-hydroxypropyl)-N-[(3-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 106001022
1-(2-hydroxyethyl)-N-(2-methylsulfanylpropyl)pyrazole-4-sulfonamide
CID 114135391
6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 107271026
3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 106840456
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
1-[3-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018228
1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide
CID 106090909

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide (CID 106002272) is 1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide is CSC1(CNS(=O)(=O)c2cnn(CCCO)c2)CC1.
What is the InChIKey of 1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is GIFVEDJTXQUPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-18-11(3-4-11)9-13-19(16,17)10-7-12-14(8-10)5-2-6-15/h7-8,13,15H,2-6,9H2,1H3.
What are the key properties of 1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide?
1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 305.43 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106002272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).