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

C15H30N2O2S — CID 106059659

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C15H30N2O2S/c1-10(2)16-9-11(3)20(18,19)17-12(4)15-8-13-5-6-14(15)7-13/h10-17H,5-9H2,1-4H3
InChIKeyOKWSOYIQQWFITK-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.12
Rot. Bonds7

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106059659) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106059659
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NC(C)C1CC2CCC1C2
InChIInChI=1S/C15H30N2O2S/c1-10(2)16-9-11(3)20(18,19)17-12(4)15-8-13-5-6-14(15)7-13/h10-17H,5-9H2,1-4H3
InChIKeyOKWSOYIQQWFITK-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(methylamino)propane-2-sulfonamide
CID 106059663
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]ethanesulfonamide
CID 4078136
N-(1-cyclobutylethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142340
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]propan-2-ol
CID 60884968
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide
CID 98297363
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807622
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propane-1-sulfonamide
CID 60910230
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106059664
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(propylamino)ethanesulfonamide
CID 106059672
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 98392671
methyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-bromopropanoate
CID 103233673

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106059659) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is OKWSOYIQQWFITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-10(2)16-9-11(3)20(18,19)17-12(4)15-8-13-5-6-14(15)7-13/h10-17H,5-9H2,1-4H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 302.48 g/mol, XLogP of 2.12, 7 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-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106059659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).