(1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide

C11H19NO3S — CID 164634854

IUPAC(1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide
SMILESC[C@H]1[C@@H](NC(=O)[C@@H]2CC2(C)C)CCS1(=O)=O
InChIInChI=1S/C11H19NO3S/c1-7-9(4-5-16(7,14)15)12-10(13)8-6-11(8,2)3/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8-,9-/m0/s1
InChIKeyIKFAUJHPWFKWLV-CIUDSAMLSA-N
MW245.34 g/mol
LogP0.72
Rot. Bonds2

About (1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide

(1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide (PubChem CID 164634854) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide
PubChem CID164634854
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name(1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide
SMILESC[C@H]1[C@@H](NC(=O)[C@@H]2CC2(C)C)CCS1(=O)=O
InChIInChI=1S/C11H19NO3S/c1-7-9(4-5-16(7,14)15)12-10(13)8-6-11(8,2)3/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8-,9-/m0/s1
InChIKeyIKFAUJHPWFKWLV-CIUDSAMLSA-N
XLogP0.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide (CID 164634854) is (1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide is C[C@H]1[C@@H](NC(=O)[C@@H]2CC2(C)C)CCS1(=O)=O.
What is the InChIKey of (1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is IKFAUJHPWFKWLV-CIUDSAMLSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-7-9(4-5-16(7,14)15)12-10(13)8-6-11(8,2)3/h7-9H,4-6H2,1-3H3,(H,12,13)/t7-,8-,9-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide?
(1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 245.34 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164634854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).