(5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine

C10H14BrNO2S2 — CID 116821436

IUPAC(5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine
SMILESNC(c1ccc(Br)s1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H14BrNO2S2/c11-9-2-1-8(15-9)10(12)7-3-5-16(13,14)6-4-7/h1-2,7,10H,3-6,12H2
InChIKeyAFKSCQLEUPDNBT-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.34
Rot. Bonds2

About (5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine

(5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine (PubChem CID 116821436) has the molecular formula C10H14BrNO2S2 and a molecular weight of 324.27 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine
PubChem CID116821436
Molecular FormulaC10H14BrNO2S2
Molecular Weight324.27 g/mol
Exact Mass322.96
IUPAC Name(5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine
SMILESNC(c1ccc(Br)s1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H14BrNO2S2/c11-9-2-1-8(15-9)10(12)7-3-5-16(13,14)6-4-7/h1-2,7,10H,3-6,12H2
InChIKeyAFKSCQLEUPDNBT-UHFFFAOYSA-N
XLogP2.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(5-bromothiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171222527
(S)-(5-bromothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride
CID 171240660
4-[amino-(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 116938801
(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine
CID 63501690
N-[(5-bromothiophen-2-yl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 64905985
(5-bromothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79915556
(4-bromo-5-chlorothiophen-2-yl)-(1,1-dioxothiolan-3-yl)methanamine
CID 102827981
3-(5-bromothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
CID 62504988
2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336371
(5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475544
2-bromo-5-[chloro(cyclopropyl)methyl]thiophene
CID 61085489
[5-(4-bromophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43154410

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine (CID 116821436) is (5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine is NC(c1ccc(Br)s1)C1CCS(=O)(=O)CC1.
What is the InChIKey of (5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine?
The InChIKey is AFKSCQLEUPDNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S2/c11-9-2-1-8(15-9)10(12)7-3-5-16(13,14)6-4-7/h1-2,7,10H,3-6,12H2.
What are the key properties of (5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine?
(5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine has a molecular weight of 324.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(1,1-dioxothian-4-yl)methanamine is sourced from PubChem (CID 116821436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).