3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide

C17H30N4O2S — CID 70645906

IUPAC3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)N(CCc1cnccn1)C1CCNCC1
InChIInChI=1S/C17H30N4O2S/c1-17(2,3)7-13-24(22,23)21(16-4-8-18-9-5-16)12-6-15-14-19-10-11-20-15/h10-11,14,16,18H,4-9,12-13H2,1-3H3
InChIKeyCUDKQKHJTJZJMA-UHFFFAOYSA-N
MW354.52 g/mol
LogP1.84
Rot. Bonds7

About 3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide

3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide (PubChem CID 70645906) has the molecular formula C17H30N4O2S and a molecular weight of 354.52 g/mol. Its IUPAC name is 3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide
PubChem CID70645906
Molecular FormulaC17H30N4O2S
Molecular Weight354.52 g/mol
Exact Mass354.21
IUPAC Name3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)N(CCc1cnccn1)C1CCNCC1
InChIInChI=1S/C17H30N4O2S/c1-17(2,3)7-13-24(22,23)21(16-4-8-18-9-5-16)12-6-15-14-19-10-11-20-15/h10-11,14,16,18H,4-9,12-13H2,1-3H3
InChIKeyCUDKQKHJTJZJMA-UHFFFAOYSA-N
XLogP1.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide?
The IUPAC name of 3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide (CID 70645906) is 3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide?
The canonical SMILES for 3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)N(CCc1cnccn1)C1CCNCC1.
What is the InChIKey of 3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide?
The InChIKey is CUDKQKHJTJZJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2S/c1-17(2,3)7-13-24(22,23)21(16-4-8-18-9-5-16)12-6-15-14-19-10-11-20-15/h10-11,14,16,18H,4-9,12-13H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide?
3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide has a molecular weight of 354.52 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-piperidin-4-yl-N-(2-pyrazin-2-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 70645906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).