1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine

C14H21N3O4S2 — CID 18445941

IUPAC1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)sc1N1CCCCC1
InChIInChI=1S/C14H21N3O4S2/c18-17(19)12-11-13(22-14(12)15-7-3-1-4-8-15)23(20,21)16-9-5-2-6-10-16/h11H,1-10H2
InChIKeyCOHDAMASMBWEDE-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.82
Rot. Bonds4

About 1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine

1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine (PubChem CID 18445941) has the molecular formula C14H21N3O4S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine.

Molecular Properties

Compound Name1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine
PubChem CID18445941
Molecular FormulaC14H21N3O4S2
Molecular Weight359.47 g/mol
Exact Mass359.10
IUPAC Name1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)sc1N1CCCCC1
InChIInChI=1S/C14H21N3O4S2/c18-17(19)12-11-13(22-14(12)15-7-3-1-4-8-15)23(20,21)16-9-5-2-6-10-16/h11H,1-10H2
InChIKeyCOHDAMASMBWEDE-UHFFFAOYSA-N
XLogP2.82
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
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

3-nitro-5-piperidin-1-ylsulfonyl-N-propylthiophen-2-amine
CID 80746136
5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-3-nitrothiophen-2-amine
CID 80747585
4-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-1,4-thiazepane
CID 80742515
1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 80736027
(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine
CID 80742394
1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-4-prop-2-ynylpiperazine
CID 80735831
3-(methoxymethyl)-1-(5-methylsulfonyl-3-nitrothiophen-2-yl)piperidine
CID 133441527
2-[4-(5-methylsulfonyl-3-nitrothiophen-2-yl)piperazin-1-yl]-1,3-thiazole
CID 133440701
1-(4-methoxyphenyl)-4-(5-methylsulfonyl-3-nitrothiophen-2-yl)piperazine
CID 133424017
5-(4-ethylpiperidin-1-yl)sulfonyl-3-nitrothiophen-2-amine
CID 80747210
1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 80734863
(3S)-1-(5-methylsulfonyl-3-nitrothiophen-2-yl)pyrrolidin-3-ol
CID 75397596

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine?
The IUPAC name of 1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine (CID 18445941) is 1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine.
What is the SMILES notation for 1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine?
The canonical SMILES for 1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine is O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)sc1N1CCCCC1.
What is the InChIKey of 1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine?
The InChIKey is COHDAMASMBWEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S2/c18-17(19)12-11-13(22-14(12)15-7-3-1-4-8-15)23(20,21)16-9-5-2-6-10-16/h11H,1-10H2.
What are the key properties of 1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine?
1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine has a molecular weight of 359.47 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-5-piperidin-1-ylsulfonylthiophen-2-yl)piperidine is sourced from PubChem (CID 18445941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).