(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide

C10H12BrNO2S — CID 103872325

IUPAC(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cc(Br)cs1)[C@@H]1CCCO1
InChIInChI=1S/C10H12BrNO2S/c11-7-4-8(15-6-7)5-12-10(13)9-2-1-3-14-9/h4,6,9H,1-3,5H2,(H,12,13)/t9-/m0/s1
InChIKeyHKISDODQNCFKQK-VIFPVBQESA-N
MW290.18 g/mol
LogP2.31
Rot. Bonds3

About (2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide

(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide (PubChem CID 103872325) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is (2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide
PubChem CID103872325
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cc(Br)cs1)[C@@H]1CCCO1
InChIInChI=1S/C10H12BrNO2S/c11-7-4-8(15-6-7)5-12-10(13)9-2-1-3-14-9/h4,6,9H,1-3,5H2,(H,12,13)/t9-/m0/s1
InChIKeyHKISDODQNCFKQK-VIFPVBQESA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide
CID 110789726
2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978822
cis-(1S,2R)-2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114092399
2-amino-N-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731564
N-[(4-bromothiophen-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47250169
3-amino-N-[(4-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119731570
N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]oxolane-2-carboxamide
CID 110719509
7-amino-N-[(4-bromothiophen-2-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114946144
(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 51948734
N-[(4-bromothiophen-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 47250589
N-[(4-bromothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 47250318
N-[[5-(4-bromophenyl)furan-2-yl]methyl]oxolane-2-carboxamide
CID 24646075

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide (CID 103872325) is (2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide is O=C(NCc1cc(Br)cs1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide?
The InChIKey is HKISDODQNCFKQK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-7-4-8(15-6-7)5-12-10(13)9-2-1-3-14-9/h4,6,9H,1-3,5H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide?
(2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide has a molecular weight of 290.18 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-bromothiophen-2-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 103872325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).