N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H24N4O4S2 — CID 113065786

IUPACN-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCN(C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C13H24N4O4S2/c1-10-13(11(2)16-15-10)23(20,21)14-8-9-17(22(3,18)19)12-6-4-5-7-12/h12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyMCCHHPNPELJQSY-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.51
Rot. Bonds7

About N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113065786) has the molecular formula C13H24N4O4S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113065786
Molecular FormulaC13H24N4O4S2
Molecular Weight364.49 g/mol
Exact Mass364.12
IUPAC NameN-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCN(C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C13H24N4O4S2/c1-10-13(11(2)16-15-10)23(20,21)14-8-9-17(22(3,18)19)12-6-4-5-7-12/h12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyMCCHHPNPELJQSY-UHFFFAOYSA-N
XLogP0.51
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113065877
N-(2-chloroethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 63396431
N-[2-(cyclopropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62665350
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065789
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-tert-butyl-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113056669
N-[3-(dimethylamino)propyl]-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113053846
3,5-dimethyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60895350
3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80585796
N-[2-(bromomethyl)cyclopentyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106367456

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113065786) is N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCN(C1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MCCHHPNPELJQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4S2/c1-10-13(11(2)16-15-10)23(20,21)14-8-9-17(22(3,18)19)12-6-4-5-7-12/h12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 364.49 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113065786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).