N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C11H18N4O3S — CID 119074036

IUPACN-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C11H18N4O3S/c1-15(2)19(17,18)7-6-12-11(16)10-8-4-3-5-9(8)13-14-10/h3-7H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyIFIPASQBUQHUPF-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.48
Rot. Bonds5

About N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 119074036) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID119074036
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C11H18N4O3S/c1-15(2)19(17,18)7-6-12-11(16)10-8-4-3-5-9(8)13-14-10/h3-7H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyIFIPASQBUQHUPF-UHFFFAOYSA-N
XLogP-0.48
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
N-[2-(cyclopropanecarbonylamino)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 78880342
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 135097019
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
N-(2-morpholin-4-ylsulfonylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110626674
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 135096386
N-(2-propan-2-yloxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110610403
4-amino-5-cyclopropyl-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-3-carboxamide
CID 106333015
N-(2-amino-2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119625986
N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111483508
N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 167934990

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 119074036) is N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CN(C)S(=O)(=O)CCNC(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is IFIPASQBUQHUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-15(2)19(17,18)7-6-12-11(16)10-8-4-3-5-9(8)13-14-10/h3-7H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 119074036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).