N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide

C14H25N3O3S — CID 131933777

IUPACN-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CCC2CCCCO2)cn1
InChIInChI=1S/C14H25N3O3S/c1-3-8-17-12-14(11-15-17)21(18,19)16(2)9-7-13-6-4-5-10-20-13/h11-13H,3-10H2,1-2H3
InChIKeyJZYFQUWEOQDVCX-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.87
Rot. Bonds7

About N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide

N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide (PubChem CID 131933777) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide
PubChem CID131933777
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)CCC2CCCCO2)cn1
InChIInChI=1S/C14H25N3O3S/c1-3-8-17-12-14(11-15-17)21(18,19)16(2)9-7-13-6-4-5-10-20-13/h11-13H,3-10H2,1-2H3
InChIKeyJZYFQUWEOQDVCX-UHFFFAOYSA-N
XLogP1.87
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981610
N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604918
3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604973
N-(dimethylsulfamoyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 110671768
N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604914
N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-propylpyrazole-4-sulfonamide
CID 131919733
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide
CID 29089499
2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604975
1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 110604959
2-methoxy-N-methyl-5-methylsulfonyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110619213
1-methyl-4-[methyl(oxan-2-ylmethyl)sulfamoyl]pyrrole-2-carboxamide
CID 86825291
N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide
CID 131939149

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide (CID 131933777) is N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)CCC2CCCCO2)cn1.
What is the InChIKey of N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is JZYFQUWEOQDVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-3-8-17-12-14(11-15-17)21(18,19)16(2)9-7-13-6-4-5-10-20-13/h11-13H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide?
N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 131933777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).