3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide

C17H36N4O2S — CID 70645965

IUPAC3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)N(CCN1CCNCC1)C1CCNCC1
InChIInChI=1S/C17H36N4O2S/c1-17(2,3)6-15-24(22,23)21(16-4-7-18-8-5-16)14-13-20-11-9-19-10-12-20/h16,18-19H,4-15H2,1-3H3
InChIKeyNRIVRRDQWGIIIZ-UHFFFAOYSA-N
MW360.57 g/mol
LogP0.71
Rot. Bonds7

About 3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide

3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide (PubChem CID 70645965) has the molecular formula C17H36N4O2S and a molecular weight of 360.57 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
PubChem CID70645965
Molecular FormulaC17H36N4O2S
Molecular Weight360.57 g/mol
Exact Mass360.26
IUPAC Name3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)N(CCN1CCNCC1)C1CCNCC1
InChIInChI=1S/C17H36N4O2S/c1-17(2,3)6-15-24(22,23)21(16-4-7-18-8-5-16)14-13-20-11-9-19-10-12-20/h16,18-19H,4-15H2,1-3H3
InChIKeyNRIVRRDQWGIIIZ-UHFFFAOYSA-N
XLogP0.71
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide?
The IUPAC name of 3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide (CID 70645965) is 3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide?
The canonical SMILES for 3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)N(CCN1CCNCC1)C1CCNCC1.
What is the InChIKey of 3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide?
The InChIKey is NRIVRRDQWGIIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O2S/c1-17(2,3)6-15-24(22,23)21(16-4-7-18-8-5-16)14-13-20-11-9-19-10-12-20/h16,18-19H,4-15H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide?
3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide has a molecular weight of 360.57 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide is sourced from PubChem (CID 70645965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).