N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide

C10H23N3O4S2 — CID 60863842

IUPACN-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
SMILESCS(=O)(=O)NCCNS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C10H23N3O4S2/c1-18(14,15)12-7-8-13-19(16,17)9-5-10-4-2-3-6-11-10/h10-13H,2-9H2,1H3
InChIKeyMGOSCDKUDDMJHR-UHFFFAOYSA-N
MW313.45 g/mol
LogP-1.01
Rot. Bonds8

About N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide

N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide (PubChem CID 60863842) has the molecular formula C10H23N3O4S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
PubChem CID60863842
Molecular FormulaC10H23N3O4S2
Molecular Weight313.45 g/mol
Exact Mass313.11
IUPAC NameN-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
SMILESCS(=O)(=O)NCCNS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C10H23N3O4S2/c1-18(14,15)12-7-8-13-19(16,17)9-5-10-4-2-3-6-11-10/h10-13H,2-9H2,1H3
InChIKeyMGOSCDKUDDMJHR-UHFFFAOYSA-N
XLogP-1.01
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylsulfamoyl)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 106339620
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797
N-(2-methoxyethyl)-2-piperidin-2-ylethanesulfonamide
CID 60865631
N-propyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115071362
2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride
CID 120723401
N-(cyclohexylmethyl)-2-piperidin-2-ylethanesulfonamide
CID 60863668
2-ethoxy-N-(2-piperidin-2-ylethyl)ethanesulfonamide
CID 63245561
2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanesulfonamide
CID 63245222
N-ethyl-2-(2-piperidin-2-ylethylsulfonylamino)acetamide
CID 60863848
N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide
CID 79381999
2-[2-(2-piperidin-2-ylethylsulfonylamino)ethoxy]acetamide
CID 106237551
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide (CID 60863842) is N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide is CS(=O)(=O)NCCNS(=O)(=O)CCC1CCCCN1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide?
The InChIKey is MGOSCDKUDDMJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O4S2/c1-18(14,15)12-7-8-13-19(16,17)9-5-10-4-2-3-6-11-10/h10-13H,2-9H2,1H3.
What are the key properties of N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide?
N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide has a molecular weight of 313.45 g/mol, XLogP of -1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 60863842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).