N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide

C13H25N5O2S — CID 102692275

IUPACN-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide
SMILESCN1CCC(N(C)CCN(C)S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C13H25N5O2S/c1-16-8-5-12(6-9-16)17(2)10-11-18(3)21(19,20)13-4-7-14-15-13/h4,7,12H,5-6,8-11H2,1-3H3,(H,14,15)
InChIKeyVRRANVWMVQYYOY-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.06
Rot. Bonds6

About N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide

N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692275) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692275
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC NameN-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide
SMILESCN1CCC(N(C)CCN(C)S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C13H25N5O2S/c1-16-8-5-12(6-9-16)17(2)10-11-18(3)21(19,20)13-4-7-14-15-13/h4,7,12H,5-6,8-11H2,1-3H3,(H,14,15)
InChIKeyVRRANVWMVQYYOY-UHFFFAOYSA-N
XLogP0.06
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693004
N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691082
N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide
CID 102692083
N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693045
N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 107206389
N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102691826
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692013
N-piperidin-4-yl-N-propyl-1H-pyrazole-5-sulfonamide
CID 102693555
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693048
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693564
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 102691703
ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 144721860

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide (CID 102692275) is N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide is CN1CCC(N(C)CCN(C)S(=O)(=O)c2ccn[nH]2)CC1.
What is the InChIKey of N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is VRRANVWMVQYYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-16-8-5-12(6-9-16)17(2)10-11-18(3)21(19,20)13-4-7-14-15-13/h4,7,12H,5-6,8-11H2,1-3H3,(H,14,15).
What are the key properties of N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide?
N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).