N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine

C10H15N3O2S — CID 114527666

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCn1ccnc1CCNC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H15N3O2S/c1-13-6-5-12-10(13)2-4-11-9-3-7-16(14,15)8-9/h3,5-7,9,11H,2,4,8H2,1H3
InChIKeyIKHQCPPPWLLLST-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.14
Rot. Bonds4

About N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine

N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 114527666) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID114527666
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESCn1ccnc1CCNC1C=CS(=O)(=O)C1
InChIInChI=1S/C10H15N3O2S/c1-13-6-5-12-10(13)2-4-11-9-3-7-16(14,15)8-9/h3,5-7,9,11H,2,4,8H2,1H3
InChIKeyIKHQCPPPWLLLST-UHFFFAOYSA-N
XLogP-0.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxothian-3-amine
CID 63923427
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 114531771
N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61211656
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214730
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 114527587
3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 64501340
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
1,2,5-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 61212215

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 114527666) is N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine is Cn1ccnc1CCNC1C=CS(=O)(=O)C1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is IKHQCPPPWLLLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-13-6-5-12-10(13)2-4-11-9-3-7-16(14,15)8-9/h3,5-7,9,11H,2,4,8H2,1H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 241.32 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 114527666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).