(1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine

C11H17NO2S2 — CID 104991307

IUPAC(1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)C2CCCCS2(=O)=O)cs1
InChIInChI=1S/C11H17NO2S2/c1-8-6-9(7-15-8)11(12)10-4-2-3-5-16(10,13)14/h6-7,10-11H,2-5,12H2,1H3
InChIKeyGTELAPORMQXCGW-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.02
Rot. Bonds2

About (1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine

(1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine (PubChem CID 104991307) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is (1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine
PubChem CID104991307
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name(1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)C2CCCCS2(=O)=O)cs1
InChIInChI=1S/C11H17NO2S2/c1-8-6-9(7-15-8)11(12)10-4-2-3-5-16(10,13)14/h6-7,10-11H,2-5,12H2,1H3
InChIKeyGTELAPORMQXCGW-UHFFFAOYSA-N
XLogP2.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-dioxothian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883860
(5-bromo-4-chlorothiophen-2-yl)-(1,1-dioxothian-2-yl)methanamine
CID 104519017
(4,5-dimethoxy-2-methylphenyl)-(1,1-dioxothian-2-yl)methanamine
CID 104518749
(2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine
CID 104518425
(3-methylcyclohexyl)-(5-methylthiophen-3-yl)methanamine
CID 65105141
(2,6-difluorophenyl)-(1,1-dioxothian-2-yl)methanamine
CID 115859778
2-[bromo-(2,5-dimethylthiophen-3-yl)methyl]thiane 1,1-dioxide
CID 104521500
3-cyclopentyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 104991519
(2,4-dimethoxyphenyl)-(1,1-dioxothian-2-yl)methanamine
CID 104518335
2-adamantyl-(5-methylthiophen-3-yl)methanamine
CID 104991334
[cyclopentyl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105204481
(5-bromo-2-methoxyphenyl)-(1,1-dioxothian-2-yl)methanamine
CID 104518399

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine?
The IUPAC name of (1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine (CID 104991307) is (1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine?
The canonical SMILES for (1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine is Cc1cc(C(N)C2CCCCS2(=O)=O)cs1.
What is the InChIKey of (1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine?
The InChIKey is GTELAPORMQXCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-8-6-9(7-15-8)11(12)10-4-2-3-5-16(10,13)14/h6-7,10-11H,2-5,12H2,1H3.
What are the key properties of (1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine?
(1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine has a molecular weight of 259.40 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-2-yl)-(5-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 104991307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).