N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide

C14H16BrNOS2 — CID 106134351

IUPACN-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCC1CCC(Br)CC1)c1cc2sccc2s1
InChIInChI=1S/C14H16BrNOS2/c15-10-3-1-9(2-4-10)8-16-14(17)13-7-12-11(19-13)5-6-18-12/h5-7,9-10H,1-4,8H2,(H,16,17)
InChIKeyKCWNUSUAZSKDJM-UHFFFAOYSA-N
MW358.33 g/mol
LogP4.65
Rot. Bonds3

About N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide

N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 106134351) has the molecular formula C14H16BrNOS2 and a molecular weight of 358.33 g/mol. Its IUPAC name is N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
PubChem CID106134351
Molecular FormulaC14H16BrNOS2
Molecular Weight358.33 g/mol
Exact Mass356.99
IUPAC NameN-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCC1CCC(Br)CC1)c1cc2sccc2s1
InChIInChI=1S/C14H16BrNOS2/c15-10-3-1-9(2-4-10)8-16-14(17)13-7-12-11(19-13)5-6-18-12/h5-7,9-10H,1-4,8H2,(H,16,17)
InChIKeyKCWNUSUAZSKDJM-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 114312292
N-[(2-chlorocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 113272683
N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80745911
N-[(3-bromocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 106128324
N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
N-(2-amino-2-cyclopropylethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 115301067
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
N-prop-2-ynylthieno[3,2-b]thiophene-5-carboxamide
CID 112732738
N-(3,3-dimethyl-2-oxobutyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745874
N-[4-(methylamino)cyclohexyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80744726
2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid
CID 80733577
N-(2-bromo-3-ethylpentyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114168829

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide (CID 106134351) is N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide is O=C(NCC1CCC(Br)CC1)c1cc2sccc2s1.
What is the InChIKey of N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is KCWNUSUAZSKDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS2/c15-10-3-1-9(2-4-10)8-16-14(17)13-7-12-11(19-13)5-6-18-12/h5-7,9-10H,1-4,8H2,(H,16,17).
What are the key properties of N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide?
N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 358.33 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 106134351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).