N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide

C13H25N5O2S — CID 102692383

IUPACN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccn[nH]1)N1CCN(C)CC1
InChIInChI=1S/C13H25N5O2S/c1-11(2)12(18-8-6-17(3)7-9-18)10-15-21(19,20)13-4-5-14-16-13/h4-5,11-12,15H,6-10H2,1-3H3,(H,14,16)
InChIKeyMFMRRUXSUPFIKR-UHFFFAOYSA-N
MW315.44 g/mol
LogP-0.04
Rot. Bonds6

About N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide

N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692383) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692383
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccn[nH]1)N1CCN(C)CC1
InChIInChI=1S/C13H25N5O2S/c1-11(2)12(18-8-6-17(3)7-9-18)10-15-21(19,20)13-4-5-14-16-13/h4-5,11-12,15H,6-10H2,1-3H3,(H,14,16)
InChIKeyMFMRRUXSUPFIKR-UHFFFAOYSA-N
XLogP-0.04
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide
CID 56685915
3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 94249189
3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403191
2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide
CID 78878039
5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
CID 60531245
1-(2,2-difluoroethyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
CID 99823671
1-bromo-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide
CID 83092438
3-chloro-4-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403190
N-(3-ethyl-2-hydroxypentyl)-1H-pyrazole-5-sulfonamide
CID 114168833
4-chloro-3-cyano-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 60531244
4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
CID 102690942

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide (CID 102692383) is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide is CC(C)C(CNS(=O)(=O)c1ccn[nH]1)N1CCN(C)CC1.
What is the InChIKey of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is MFMRRUXSUPFIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-11(2)12(18-8-6-17(3)7-9-18)10-15-21(19,20)13-4-5-14-16-13/h4-5,11-12,15H,6-10H2,1-3H3,(H,14,16).
What are the key properties of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide?
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).