3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine

C11H16ClNO2S2 — CID 55083701

IUPAC3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)s1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H16ClNO2S2/c12-11-2-1-10(16-11)5-9(6-13)8-3-4-17(14,15)7-8/h1-2,8-9H,3-7,13H2
InChIKeyNVBWOUPNAREGMA-UHFFFAOYSA-N
MW293.84 g/mol
LogP1.95
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine

3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine (PubChem CID 55083701) has the molecular formula C11H16ClNO2S2 and a molecular weight of 293.84 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
PubChem CID55083701
Molecular FormulaC11H16ClNO2S2
Molecular Weight293.84 g/mol
Exact Mass293.03
IUPAC Name3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)s1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H16ClNO2S2/c12-11-2-1-10(16-11)5-9(6-13)8-3-4-17(14,15)7-8/h1-2,8-9H,3-7,13H2
InChIKeyNVBWOUPNAREGMA-UHFFFAOYSA-N
XLogP1.95
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
CID 62504988
2-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)propan-1-amine
CID 62998485
3-(2-chlorophenoxy)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
CID 117237746
2-(5-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)ethanol
CID 115336371
2-(5-chlorothiophen-2-yl)-1-cyclopropylethanamine
CID 62602598
3-[1-chloro-3-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]thiolane 1,1-dioxide
CID 66035081
2-(5-chlorothiophen-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine
CID 115841541
2-(1,1-dioxothiolan-3-yl)-3-methoxypropan-1-amine
CID 103984175
N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine
CID 43614830
4-[3-amino-2-(1,1-dioxothiolan-3-yl)propoxy]phenol
CID 117237935
2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol
CID 55220976
3-(2,4-dichlorophenyl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol
CID 66024303

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine (CID 55083701) is 3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine is NCC(Cc1ccc(Cl)s1)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine?
The InChIKey is NVBWOUPNAREGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S2/c12-11-2-1-10(16-11)5-9(6-13)8-3-4-17(14,15)7-8/h1-2,8-9H,3-7,13H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine?
3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine has a molecular weight of 293.84 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine is sourced from PubChem (CID 55083701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).