N-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C13H23NO3S — CID 97219738

IUPACN-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1(C)C
InChIInChI=1S/C13H23NO3S/c1-12(2)10(13(12,3)4)11(15)14-9-6-5-7-18(16,17)8-9/h9-10H,5-8H2,1-4H3,(H,14,15)/t9-/m0/s1
InChIKeyFAYCUSWZOUFTTP-VIFPVBQESA-N
MW273.40 g/mol
LogP1.36
Rot. Bonds2

About N-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 97219738) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID97219738
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC NameN-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1(C)C
InChIInChI=1S/C13H23NO3S/c1-12(2)10(13(12,3)4)11(15)14-9-6-5-7-18(16,17)8-9/h9-10H,5-8H2,1-4H3,(H,14,15)/t9-/m0/s1
InChIKeyFAYCUSWZOUFTTP-VIFPVBQESA-N
XLogP1.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 97219738) is N-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1(C)C.
What is the InChIKey of N-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is FAYCUSWZOUFTTP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H23NO3S/c1-12(2)10(13(12,3)4)11(15)14-9-6-5-7-18(16,17)8-9/h9-10H,5-8H2,1-4H3,(H,14,15)/t9-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 273.40 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothian-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 97219738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).