N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide

C17H27N3O4S — CID 132762139

IUPACN-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide
SMILESCCC1CCCCN1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H27N3O4S/c1-2-16-8-3-4-11-19(16)12-6-10-18-25(23,24)14-15-7-5-9-17(13-15)20(21)22/h5,7,9,13,16,18H,2-4,6,8,10-12,14H2,1H3
InChIKeySZIBAEGOUYLXCB-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.67
Rot. Bonds9

About N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide

N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide (PubChem CID 132762139) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide
PubChem CID132762139
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide
SMILESCCC1CCCCN1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H27N3O4S/c1-2-16-8-3-4-11-19(16)12-6-10-18-25(23,24)14-15-7-5-9-17(13-15)20(21)22/h5,7,9,13,16,18H,2-4,6,8,10-12,14H2,1H3
InChIKeySZIBAEGOUYLXCB-UHFFFAOYSA-N
XLogP2.67
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[3-(2-ethylpiperidin-1-yl)propylsulfamoylmethyl]benzoate
CID 43885410
N-(3-ethoxypropyl)-1-(3-nitrophenyl)methanesulfonamide
CID 92680389
2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
CID 171704776
(2R)-2-ethyl-1-(3-nitrophenyl)sulfonylpiperidine
CID 7324167
N-[2-(dimethylamino)ethyl]-1-(3-nitrophenyl)methanesulfonamide
CID 76850007
N-[[1-[(3-nitrophenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 63847849
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46772307
1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 92680805
N-[3-(2-methoxyphenyl)propyl]-1-(3-nitrophenyl)methanesulfonamide
CID 99955697
1-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methyl-3-[(4-nitrophenyl)methyl]guanidine
CID 111568523
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(2-ethylpiperidin-1-yl)propyl]acetamide
CID 43893316
methyl (2R)-1-[(3-nitrophenyl)methyl]piperidine-2-carboxylate
CID 79833827

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide?
The IUPAC name of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide (CID 132762139) is N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide is CCC1CCCCN1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide?
The InChIKey is SZIBAEGOUYLXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-2-16-8-3-4-11-19(16)12-6-10-18-25(23,24)14-15-7-5-9-17(13-15)20(21)22/h5,7,9,13,16,18H,2-4,6,8,10-12,14H2,1H3.
What are the key properties of N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide?
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(3-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 132762139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).