N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine

C14H22N2O2S2 — CID 63019439

IUPACN-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine
SMILESCc1ncc(CC(CNC2CC2)C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C14H22N2O2S2/c1-10-15-8-14(19-10)6-12(7-16-13-2-3-13)11-4-5-20(17,18)9-11/h8,11-13,16H,2-7,9H2,1H3
InChIKeyUMTZKBRCIITXFK-UHFFFAOYSA-N
MW314.48 g/mol
LogP1.80
Rot. Bonds6

About N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine

N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine (PubChem CID 63019439) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine
PubChem CID63019439
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC NameN-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine
SMILESCc1ncc(CC(CNC2CC2)C2CCS(=O)(=O)C2)s1
InChIInChI=1S/C14H22N2O2S2/c1-10-15-8-14(19-10)6-12(7-16-13-2-3-13)11-4-5-20(17,18)9-11/h8,11-13,16H,2-7,9H2,1H3
InChIKeyUMTZKBRCIITXFK-UHFFFAOYSA-N
XLogP1.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine (CID 63019439) is N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine is Cc1ncc(CC(CNC2CC2)C2CCS(=O)(=O)C2)s1.
What is the InChIKey of N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine?
The InChIKey is UMTZKBRCIITXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-10-15-8-14(19-10)6-12(7-16-13-2-3-13)11-4-5-20(17,18)9-11/h8,11-13,16H,2-7,9H2,1H3.
What are the key properties of N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine?
N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine has a molecular weight of 314.48 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiolan-3-yl)-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine is sourced from PubChem (CID 63019439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).