N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide

C13H26N2O2S — CID 106059663

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C13H26N2O2S/c1-9(8-14-3)18(16,17)15-10(2)13-7-11-4-5-12(13)6-11/h9-15H,4-8H2,1-3H3
InChIKeyPMIOMBNPAXINQV-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.34
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide (PubChem CID 106059663) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide
PubChem CID106059663
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C13H26N2O2S/c1-9(8-14-3)18(16,17)15-10(2)13-7-11-4-5-12(13)6-11/h9-15H,4-8H2,1-3H3
InChIKeyPMIOMBNPAXINQV-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106059659
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide
CID 4078136
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106059664
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide
CID 98297363
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propane-1-sulfonamide
CID 60910230
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
CID 60884968
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide
CID 106059672
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807622
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 98392671
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide (CID 106059663) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide is CNCC(C)S(=O)(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide?
The InChIKey is PMIOMBNPAXINQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-9(8-14-3)18(16,17)15-10(2)13-7-11-4-5-12(13)6-11/h9-15H,4-8H2,1-3H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 106059663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).