N-cyclopropyl-2-methylthiolane-2-carboxamide

C9H15NOS — CID 80949024

IUPACN-cyclopropyl-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NC2CC2)CCCS1
InChIInChI=1S/C9H15NOS/c1-9(5-2-6-12-9)8(11)10-7-3-4-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyBIPSAKWKOVPKOH-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.55
Rot. Bonds2

About N-cyclopropyl-2-methylthiolane-2-carboxamide

N-cyclopropyl-2-methylthiolane-2-carboxamide (PubChem CID 80949024) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is N-cyclopropyl-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methylthiolane-2-carboxamide
PubChem CID80949024
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC NameN-cyclopropyl-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NC2CC2)CCCS1
InChIInChI=1S/C9H15NOS/c1-9(5-2-6-12-9)8(11)10-7-3-4-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyBIPSAKWKOVPKOH-UHFFFAOYSA-N
XLogP1.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methylthiolane-2-carboxamide?
The IUPAC name of N-cyclopropyl-2-methylthiolane-2-carboxamide (CID 80949024) is N-cyclopropyl-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-cyclopropyl-2-methylthiolane-2-carboxamide is CC1(C(=O)NC2CC2)CCCS1.
What is the InChIKey of N-cyclopropyl-2-methylthiolane-2-carboxamide?
The InChIKey is BIPSAKWKOVPKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-9(5-2-6-12-9)8(11)10-7-3-4-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of N-cyclopropyl-2-methylthiolane-2-carboxamide?
N-cyclopropyl-2-methylthiolane-2-carboxamide has a molecular weight of 185.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 80949024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).