N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide

C13H25NO2S — CID 98297363

IUPACN-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C13H25NO2S/c1-3-4-7-17(15,16)14-10(2)13-9-11-5-6-12(13)8-11/h10-14H,3-9H2,1-2H3/t10-,11-,12-,13+/m1/s1
InChIKeySVKSYWQRVHXODP-LPWJVIDDSA-N
MW259.41 g/mol
LogP2.53
Rot. Bonds6

About N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide

N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide (PubChem CID 98297363) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide
PubChem CID98297363
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC NameN-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C13H25NO2S/c1-3-4-7-17(15,16)14-10(2)13-9-11-5-6-12(13)8-11/h10-14H,3-9H2,1-2H3/t10-,11-,12-,13+/m1/s1
InChIKeySVKSYWQRVHXODP-LPWJVIDDSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide with MolForge

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Related Compounds

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]ethanesulfonamide
CID 4078136
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-[(1R)-1-cyclopropylethyl]butane-1-sulfonamide
CID 95761810
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807622
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-butylsulfonylpiperidine-4-carboxamide
CID 55765140
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine
CID 60668799
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]-1-(methylamino)propane-2-sulfonamide
CID 106059663
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)ethyl]-3-butylthiourea
CID 19651483

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide (CID 98297363) is N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide?
The InChIKey is SVKSYWQRVHXODP-LPWJVIDDSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-3-4-7-17(15,16)14-10(2)13-9-11-5-6-12(13)8-11/h10-14H,3-9H2,1-2H3/t10-,11-,12-,13+/m1/s1.
What are the key properties of N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide?
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide has a molecular weight of 259.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]butane-1-sulfonamide is sourced from PubChem (CID 98297363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).