N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide

C12H23N5O2S — CID 131924506

IUPACN-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2cn[nH]c2)(N(C)C)CC1
InChIInChI=1S/C12H23N5O2S/c1-16(2)12(4-6-17(3)7-5-12)10-15-20(18,19)11-8-13-14-9-11/h8-9,15H,4-7,10H2,1-3H3,(H,13,14)
InChIKeyPJKHBASSTXZHOS-UHFFFAOYSA-N
MW301.42 g/mol
LogP-0.29
Rot. Bonds5

About N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide

N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 131924506) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID131924506
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC NameN-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2cn[nH]c2)(N(C)C)CC1
InChIInChI=1S/C12H23N5O2S/c1-16(2)12(4-6-17(3)7-5-12)10-15-20(18,19)11-8-13-14-9-11/h8-9,15H,4-7,10H2,1-3H3,(H,13,14)
InChIKeyPJKHBASSTXZHOS-UHFFFAOYSA-N
XLogP-0.29
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide (CID 131924506) is N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide is CN1CCC(CNS(=O)(=O)c2cn[nH]c2)(N(C)C)CC1.
What is the InChIKey of N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is PJKHBASSTXZHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-16(2)12(4-6-17(3)7-5-12)10-15-20(18,19)11-8-13-14-9-11/h8-9,15H,4-7,10H2,1-3H3,(H,13,14).
What are the key properties of N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide?
N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 131924506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).