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

C10H13Cl2NO2S2 — CID 104518425

IUPAC(2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)C1CCCCS1(=O)=O
InChIInChI=1S/C10H13Cl2NO2S2/c11-8-5-6(10(12)16-8)9(13)7-3-1-2-4-17(7,14)15/h5,7,9H,1-4,13H2
InChIKeyGNYGKXWDGVQBIK-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.02
Rot. Bonds2

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

(2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine (PubChem CID 104518425) has the molecular formula C10H13Cl2NO2S2 and a molecular weight of 314.26 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine
PubChem CID104518425
Molecular FormulaC10H13Cl2NO2S2
Molecular Weight314.26 g/mol
Exact Mass312.98
IUPAC Name(2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)C1CCCCS1(=O)=O
InChIInChI=1S/C10H13Cl2NO2S2/c11-8-5-6(10(12)16-8)9(13)7-3-1-2-4-17(7,14)15/h5,7,9H,1-4,13H2
InChIKeyGNYGKXWDGVQBIK-UHFFFAOYSA-N
XLogP3.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-N-[2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethyl]methanesulfonamide
CID 129751764
3-(2,5-Dichlorothiophen-3-yl)-1,4-thiazinane 1,1-dioxide
CID 105558400
2,5-dichloro-N-(1-phenylpropyl)thiophene-3-sulfonamide
CID 3724974
2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide
CID 3755115
(5-Chlorothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine
CID 43114577
(5-Chlorothiophen-2-yl)-(3-methylsulfonylphenyl)methanamine
CID 43114593
(2,5-Dichlorothiophen-3-yl)-(4-methylsulfonylphenyl)methanamine
CID 43167339
(2,5-Dichlorothiophen-3-yl)-(3-methylsulfonylphenyl)methanamine
CID 43167343
1-(2,5-Dichlorothiophen-3-yl)octan-1-amine
CID 43167354
1-(2,5-Dichlorothiophen-3-yl)-2-methylpentan-1-amine
CID 43167356
(4-Butylcyclohexyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 43167363
Cyclohexyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 43344797

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine (CID 104518425) is (2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine is NC(c1cc(Cl)sc1Cl)C1CCCCS1(=O)=O.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine?
The InChIKey is GNYGKXWDGVQBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S2/c11-8-5-6(10(12)16-8)9(13)7-3-1-2-4-17(7,14)15/h5,7,9H,1-4,13H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine?
(2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine has a molecular weight of 314.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(1,1-dioxothian-2-yl)methanamine is sourced from PubChem (CID 104518425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).