N-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine

C11H21NO2S — CID 43615020

IUPACN-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine
SMILESCC(NC1CCS(=O)(=O)CC1)C1(C)CC1
InChIInChI=1S/C11H21NO2S/c1-9(11(2)5-6-11)12-10-3-7-15(13,14)8-4-10/h9-10,12H,3-8H2,1-2H3
InChIKeyNUPMZDUUJYNARF-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.34
Rot. Bonds3

About N-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine

N-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine (PubChem CID 43615020) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine
PubChem CID43615020
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine
SMILESCC(NC1CCS(=O)(=O)CC1)C1(C)CC1
InChIInChI=1S/C11H21NO2S/c1-9(11(2)5-6-11)12-10-3-7-15(13,14)8-4-10/h9-10,12H,3-8H2,1-2H3
InChIKeyNUPMZDUUJYNARF-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine (CID 43615020) is N-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine is CC(NC1CCS(=O)(=O)CC1)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine?
The InChIKey is NUPMZDUUJYNARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-9(11(2)5-6-11)12-10-3-7-15(13,14)8-4-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine?
N-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine has a molecular weight of 231.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-1,1-dioxothian-4-amine is sourced from PubChem (CID 43615020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).