1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide

C17H25BrN2O3S2 — CID 4050954

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C17H25BrN2O3S2/c18-15-7-8-16(24-15)25(22,23)20-11-9-13(10-12-20)17(21)19-14-5-3-1-2-4-6-14/h7-8,13-14H,1-6,9-12H2,(H,19,21)
InChIKeyDKMCTAJEFLAONK-UHFFFAOYSA-N
MW449.44 g/mol
LogP3.75
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide (PubChem CID 4050954) has the molecular formula C17H25BrN2O3S2 and a molecular weight of 449.44 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide
PubChem CID4050954
Molecular FormulaC17H25BrN2O3S2
Molecular Weight449.44 g/mol
Exact Mass448.05
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C17H25BrN2O3S2/c18-15-7-8-16(24-15)25(22,23)20-11-9-13(10-12-20)17(21)19-14-5-3-1-2-4-6-14/h7-8,13-14H,1-6,9-12H2,(H,19,21)
InChIKeyDKMCTAJEFLAONK-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cycloheptyl-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053793
N-cyclohexyl-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2088500
1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide
CID 4118418
1-({1-[(5-Bromothien-2-yl)sulfonyl]piperidin-4-yl}carbonyl)-4-cyclohexylpiperazine
CID 4670839
1-[(5-bromothien-2-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 5243547
3-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpropanamide
CID 9551113
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 16312925
1-(4,5-Dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 45488382
4-[(5-bromothiophene-2-sulfonamido)methyl]-N-cycloheptylcyclohexane-1-carboxamide
CID 3284790
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 3317218
1-[(5-Bromothiophen-2-yl)sulfonyl]-4-(piperidine-1-carbonyl)piperidine
CID 4425630
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-cyclohexylacetamide
CID 16309601

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide (CID 4050954) is 1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide?
The InChIKey is DKMCTAJEFLAONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O3S2/c18-15-7-8-16(24-15)25(22,23)20-11-9-13(10-12-20)17(21)19-14-5-3-1-2-4-6-14/h7-8,13-14H,1-6,9-12H2,(H,19,21).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide has a molecular weight of 449.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide is sourced from PubChem (CID 4050954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).