3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine

C12H19N3O4S2 — CID 80746136

IUPAC3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine
SMILESCCCNc1sc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H19N3O4S2/c1-2-6-13-12-10(15(16)17)9-11(20-12)21(18,19)14-7-4-3-5-8-14/h9,13H,2-8H2,1H3
InChIKeyJFFBSUCJOHTPEW-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.65
Rot. Bonds6

About 3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine

3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine (PubChem CID 80746136) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine.

Molecular Properties

Compound Name3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine
PubChem CID80746136
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine
SMILESCCCNc1sc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H19N3O4S2/c1-2-6-13-12-10(15(16)17)9-11(20-12)21(18,19)14-7-4-3-5-8-14/h9,13H,2-8H2,1H3
InChIKeyJFFBSUCJOHTPEW-UHFFFAOYSA-N
XLogP2.65
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-nitro-5-(propylamino)thiophene-2-sulfonamide
CID 80746901
1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine
CID 18445941
5-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethyl-3-nitrothiophen-2-amine
CID 80731135
N-(2-hydroxypropyl)-N-methyl-4-nitro-5-(propylamino)thiophene-2-sulfonamide
CID 80731238
(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine
CID 80742394
N-ethyl-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 3648122
1-[3-[(5-methylsulfonyl-3-nitrothiophen-2-yl)amino]propyl]pyrrolidin-2-one
CID 133423929
4-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-1,4-thiazepane
CID 80742515
5-(4-ethylpiperidin-1-yl)sulfonyl-3-nitrothiophen-2-amine
CID 80747210
5-(ethylamino)-N-morpholin-4-yl-4-nitrothiophene-2-sulfonamide
CID 83016233
4-[5-(methylamino)-4-nitrothiophen-2-yl]sulfonylpiperazin-2-one
CID 80747006
N-cyclopentyl-5-(ethylamino)-4-nitrothiophene-2-sulfonamide
CID 80746261

Frequently Asked Questions

What is the IUPAC name of 3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine?
The IUPAC name of 3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine (CID 80746136) is 3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine.
What is the SMILES notation for 3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine?
The canonical SMILES for 3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine is CCCNc1sc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine?
The InChIKey is JFFBSUCJOHTPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-2-6-13-12-10(15(16)17)9-11(20-12)21(18,19)14-7-4-3-5-8-14/h9,13H,2-8H2,1H3.
What are the key properties of 3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine?
3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine has a molecular weight of 333.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine is sourced from PubChem (CID 80746136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).