N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide

C17H30N4O2S — CID 56894259

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCN(CC3CCCCC3)C2)cn1
InChIInChI=1S/C17H30N4O2S/c1-2-21-14-17(11-18-21)24(22,23)19-16-9-6-10-20(13-16)12-15-7-4-3-5-8-15/h11,14-16,19H,2-10,12-13H2,1H3
InChIKeyKLFYYKYSPQIWGY-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.23
Rot. Bonds6

About N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide

N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 56894259) has the molecular formula C17H30N4O2S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide
PubChem CID56894259
Molecular FormulaC17H30N4O2S
Molecular Weight354.52 g/mol
Exact Mass354.21
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC2CCCN(CC3CCCCC3)C2)cn1
InChIInChI=1S/C17H30N4O2S/c1-2-21-14-17(11-18-21)24(22,23)19-16-9-6-10-20(13-16)12-15-7-4-3-5-8-15/h11,14-16,19H,2-10,12-13H2,1H3
InChIKeyKLFYYKYSPQIWGY-UHFFFAOYSA-N
XLogP2.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide (CID 56894259) is N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC2CCCN(CC3CCCCC3)C2)cn1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is KLFYYKYSPQIWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2S/c1-2-21-14-17(11-18-21)24(22,23)19-16-9-6-10-20(13-16)12-15-7-4-3-5-8-15/h11,14-16,19H,2-10,12-13H2,1H3.
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide?
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 354.52 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 56894259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).