2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride

C7H15ClN2O4S2 — CID 81357870

IUPAC2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C7H15ClN2O4S2/c8-15(11,12)7-4-9-16(13,14)10-5-2-1-3-6-10/h9H,1-7H2
InChIKeyDTXFTMBESJUCEW-UHFFFAOYSA-N
MW290.79 g/mol
LogP-0.12
Rot. Bonds5

About 2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride

2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride (PubChem CID 81357870) has the molecular formula C7H15ClN2O4S2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride
PubChem CID81357870
Molecular FormulaC7H15ClN2O4S2
Molecular Weight290.79 g/mol
Exact Mass290.02
IUPAC Name2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C7H15ClN2O4S2/c8-15(11,12)7-4-9-16(13,14)10-5-2-1-3-6-10/h9H,1-7H2
InChIKeyDTXFTMBESJUCEW-UHFFFAOYSA-N
XLogP-0.12
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloropropyl)piperidine-1-sulfonamide
CID 43133782
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959
N-[2-(ethylamino)ethyl]azepane-1-sulfonamide
CID 62665481
N-(3-aminopropyl)azepane-1-sulfonamide
CID 28785017
N-[2-(methylamino)ethyl]pyrrolidine-1-sulfonamide
CID 62657611
N-[2-(propylamino)ethyl]azepane-1-sulfonamide
CID 62665322
N-ethylazepane-1-sulfonamide
CID 43213421
2-(azepan-1-ylsulfonyl)ethanesulfonyl chloride
CID 165475141
N-[3-(ethylsulfonylamino)propyl]azepane-1-sulfonamide
CID 49459638
N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123
N-(methylaminomethyl)piperidine-1-sulfonamide
CID 117126231
N-[(E)-pent-3-enyl]azepane-1-sulfonamide
CID 115628649

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride?
The IUPAC name of 2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride (CID 81357870) is 2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride.
What is the SMILES notation for 2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride?
The canonical SMILES for 2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride is O=S(=O)(Cl)CCNS(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride?
The InChIKey is DTXFTMBESJUCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O4S2/c8-15(11,12)7-4-9-16(13,14)10-5-2-1-3-6-10/h9H,1-7H2.
What are the key properties of 2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride?
2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride has a molecular weight of 290.79 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride is sourced from PubChem (CID 81357870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).