N-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide

C17H30N4O2S — CID 56896207

IUPACN-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCN(C3CCCCCC3)C2)cn1
InChIInChI=1S/C17H30N4O2S/c1-2-21-14-17(12-18-21)24(22,23)19-15-8-7-11-20(13-15)16-9-5-3-4-6-10-16/h12,14-16,19H,2-11,13H2,1H3
InChIKeyOUDGBVLEOBAIQE-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.37
Rot. Bonds5

About N-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide

N-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 56896207) has the molecular formula C17H30N4O2S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide
PubChem CID56896207
Molecular FormulaC17H30N4O2S
Molecular Weight354.52 g/mol
Exact Mass354.21
IUPAC NameN-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCN(C3CCCCCC3)C2)cn1
InChIInChI=1S/C17H30N4O2S/c1-2-21-14-17(12-18-21)24(22,23)19-15-8-7-11-20(13-15)16-9-5-3-4-6-10-16/h12,14-16,19H,2-11,13H2,1H3
InChIKeyOUDGBVLEOBAIQE-UHFFFAOYSA-N
XLogP2.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide (CID 56896207) is N-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCCN(C3CCCCCC3)C2)cn1.
What is the InChIKey of N-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is OUDGBVLEOBAIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2S/c1-2-21-14-17(12-18-21)24(22,23)19-15-8-7-11-20(13-15)16-9-5-3-4-6-10-16/h12,14-16,19H,2-11,13H2,1H3.
What are the key properties of N-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide?
N-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 354.52 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptylpiperidin-3-yl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 56896207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).