N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide

C16H28N2O2S — CID 40537050

IUPACN-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
SMILESCCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-18(6-2)13-7-8-15(4)17-21(19,20)16-11-9-14(3)10-12-16/h9-12,15,17H,5-8,13H2,1-4H3/t15-/m1/s1
InChIKeyXQHZTHOJTNWVLO-OAHLLOKOSA-N
MW312.48 g/mol
LogP2.78
Rot. Bonds9

About N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide

N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 40537050) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
PubChem CID40537050
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
SMILESCCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-18(6-2)13-7-8-15(4)17-21(19,20)16-11-9-14(3)10-12-16/h9-12,15,17H,5-8,13H2,1-4H3/t15-/m1/s1
InChIKeyXQHZTHOJTNWVLO-OAHLLOKOSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-4-phenylbenzenesulfonamide
CID 3679423
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-iodobenzenesulfonamide
CID 98788188
4-cyano-N-[(2R)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8000367
N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide
CID 3732088
N-(5-bromopentan-2-yl)-4-methylbenzenesulfonamide
CID 114294982
N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7602577
3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8716846
2-chloro-5-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]benzoic acid
CID 100820173
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
4-methyl-N-[(2S)-pent-4-yn-2-yl]benzenesulfonamide
CID 86604885
N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 60642968
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide (CID 40537050) is N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide is CCN(CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is XQHZTHOJTNWVLO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-18(6-2)13-7-8-15(4)17-21(19,20)16-11-9-14(3)10-12-16/h9-12,15,17H,5-8,13H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide?
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 40537050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).