N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide

C15H31N3O3S — CID 70653521

IUPACN-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCN1CCOCC1)C1CCNCC1
InChIInChI=1S/C15H31N3O3S/c1-2-3-14-22(19,20)18(15-4-6-16-7-5-15)9-8-17-10-12-21-13-11-17/h15-16H,2-14H2,1H3
InChIKeyHHYULRIQOMTAPE-UHFFFAOYSA-N
MW333.50 g/mol
LogP0.50
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide

N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide (PubChem CID 70653521) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
PubChem CID70653521
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC NameN-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCN1CCOCC1)C1CCNCC1
InChIInChI=1S/C15H31N3O3S/c1-2-3-14-22(19,20)18(15-4-6-16-7-5-15)9-8-17-10-12-21-13-11-17/h15-16H,2-14H2,1H3
InChIKeyHHYULRIQOMTAPE-UHFFFAOYSA-N
XLogP0.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide (CID 70653521) is N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide is CCCCS(=O)(=O)N(CCN1CCOCC1)C1CCNCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide?
The InChIKey is HHYULRIQOMTAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-2-3-14-22(19,20)18(15-4-6-16-7-5-15)9-8-17-10-12-21-13-11-17/h15-16H,2-14H2,1H3.
What are the key properties of N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide?
N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide has a molecular weight of 333.50 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide is sourced from PubChem (CID 70653521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).