N-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine

C15H23NO2S2 — CID 43780205

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NC(c2cccs2)C2CCCC2)CCS(=O)(=O)C1
InChIInChI=1S/C15H23NO2S2/c1-15(8-10-20(17,18)11-15)16-14(12-5-2-3-6-12)13-7-4-9-19-13/h4,7,9,12,14,16H,2-3,5-6,8,10-11H2,1H3
InChIKeyPXQMSBUVIGVKHH-UHFFFAOYSA-N
MW313.49 g/mol
LogP3.15
Rot. Bonds4

About N-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine

N-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43780205) has the molecular formula C15H23NO2S2 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID43780205
Molecular FormulaC15H23NO2S2
Molecular Weight313.49 g/mol
Exact Mass313.12
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCC1(NC(c2cccs2)C2CCCC2)CCS(=O)(=O)C1
InChIInChI=1S/C15H23NO2S2/c1-15(8-10-20(17,18)11-15)16-14(12-5-2-3-6-12)13-7-4-9-19-13/h4,7,9,12,14,16H,2-3,5-6,8,10-11H2,1H3
InChIKeyPXQMSBUVIGVKHH-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine (CID 43780205) is N-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine is CC1(NC(c2cccs2)C2CCCC2)CCS(=O)(=O)C1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is PXQMSBUVIGVKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S2/c1-15(8-10-20(17,18)11-15)16-14(12-5-2-3-6-12)13-7-4-9-19-13/h4,7,9,12,14,16H,2-3,5-6,8,10-11H2,1H3.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
N-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 313.49 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43780205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).