N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide

C16H15NOS2 — CID 33377513

IUPACN-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide
SMILESO=C(NCC1CCC1)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C16H15NOS2/c18-16(17-9-10-4-3-5-10)14-8-13-15(20-14)11-6-1-2-7-12(11)19-13/h1-2,6-8,10H,3-5,9H2,(H,17,18)
InChIKeyGJZDODOGGWMPMX-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.65
Rot. Bonds3

About N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide

N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide (PubChem CID 33377513) has the molecular formula C16H15NOS2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide
PubChem CID33377513
Molecular FormulaC16H15NOS2
Molecular Weight301.44 g/mol
Exact Mass301.06
IUPAC NameN-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide
SMILESO=C(NCC1CCC1)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C16H15NOS2/c18-16(17-9-10-4-3-5-10)14-8-13-15(20-14)11-6-1-2-7-12(11)19-13/h1-2,6-8,10H,3-5,9H2,(H,17,18)
InChIKeyGJZDODOGGWMPMX-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
CID 119463068
N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide
CID 24502669
N-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
CID 119629088
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 24647533
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
ethyl thieno[3,2-b][1]benzothiole-2-carboxylate
CID 56691109
N'-(1,1-dioxothiolane-3-carbonyl)thieno[3,2-b][1]benzothiole-2-carbohydrazide
CID 56809273
N-[(3-chlorocyclopentyl)methyl]-1-benzothiophene-2-carboxamide
CID 106126739
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 103690758
4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
CID 78906806
(1,1-dioxothiolan-3-yl) thieno[3,2-b][1]benzothiole-2-carboxylate
CID 71881511
(4-ethylpiperazin-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 1082719

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide (CID 33377513) is N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide is O=C(NCC1CCC1)c1cc2sc3ccccc3c2s1.
What is the InChIKey of N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide?
The InChIKey is GJZDODOGGWMPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS2/c18-16(17-9-10-4-3-5-10)14-8-13-15(20-14)11-6-1-2-7-12(11)19-13/h1-2,6-8,10H,3-5,9H2,(H,17,18).
What are the key properties of N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide?
N-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide has a molecular weight of 301.44 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-(cyclobutylmethyl)thieno[3,2-b][1]benzothiole-2-carboxamide is sourced from PubChem (CID 33377513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).