6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide

C20H30N4O2S — CID 133344351

IUPAC6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(N2CCN(C3CC4CCC3C4)CC2)nc1
InChIInChI=1S/C20H30N4O2S/c25-27(26,22-13-15-1-2-15)18-5-6-20(21-14-18)24-9-7-23(8-10-24)19-12-16-3-4-17(19)11-16/h5-6,14-17,19,22H,1-4,7-13H2
InChIKeyNKYTWOOBCFKWNO-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.08
Rot. Bonds6

About 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide

6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide (PubChem CID 133344351) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide
PubChem CID133344351
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(N2CCN(C3CC4CCC3C4)CC2)nc1
InChIInChI=1S/C20H30N4O2S/c25-27(26,22-13-15-1-2-15)18-5-6-20(21-14-18)24-9-7-23(8-10-24)19-12-16-3-4-17(19)11-16/h5-6,14-17,19,22H,1-4,7-13H2
InChIKeyNKYTWOOBCFKWNO-UHFFFAOYSA-N
XLogP2.08
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide (CID 133344351) is 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide is O=S(=O)(NCC1CC1)c1ccc(N2CCN(C3CC4CCC3C4)CC2)nc1.
What is the InChIKey of 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide?
The InChIKey is NKYTWOOBCFKWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c25-27(26,22-13-15-1-2-15)18-5-6-20(21-14-18)24-9-7-23(8-10-24)19-12-16-3-4-17(19)11-16/h5-6,14-17,19,22H,1-4,7-13H2.
What are the key properties of 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide?
6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide has a molecular weight of 390.55 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 133344351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).