N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide

C10H13BrN2OS2 — CID 82916985

IUPACN-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide
SMILESO=C(NCc1sccc1Br)C1CSCCN1
InChIInChI=1S/C10H13BrN2OS2/c11-7-1-3-16-9(7)5-13-10(14)8-6-15-4-2-12-8/h1,3,8,12H,2,4-6H2,(H,13,14)
InChIKeyBCQGTDNMUKZPBL-UHFFFAOYSA-N
MW321.27 g/mol
LogP1.83
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide

N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide (PubChem CID 82916985) has the molecular formula C10H13BrN2OS2 and a molecular weight of 321.27 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide
PubChem CID82916985
Molecular FormulaC10H13BrN2OS2
Molecular Weight321.27 g/mol
Exact Mass319.97
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide
SMILESO=C(NCc1sccc1Br)C1CSCCN1
InChIInChI=1S/C10H13BrN2OS2/c11-7-1-3-16-9(7)5-13-10(14)8-6-15-4-2-12-8/h1,3,8,12H,2,4-6H2,(H,13,14)
InChIKeyBCQGTDNMUKZPBL-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide
CID 131165790
(3S)-N-[(3-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81134006
N-[[4-(dimethylamino)phenyl]methyl]thiomorpholine-3-carboxamide
CID 82909258
N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 78985906
N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 82908850
N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide
CID 82906473
N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide
CID 82916761
N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80567333
N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide
CID 82908468
N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115598109
(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119707041
N-[(3-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 104917199

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide (CID 82916985) is N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide is O=C(NCc1sccc1Br)C1CSCCN1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide?
The InChIKey is BCQGTDNMUKZPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS2/c11-7-1-3-16-9(7)5-13-10(14)8-6-15-4-2-12-8/h1,3,8,12H,2,4-6H2,(H,13,14).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide has a molecular weight of 321.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82916985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).