(1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide

C14H24N2O3S — CID 124729767

IUPAC(1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1
InChIInChI=1S/C14H24N2O3S/c1-14(2)7-10(14)13(17)15-11-8-20(18,19)9-12(11)16-5-3-4-6-16/h10-12H,3-9H2,1-2H3,(H,15,17)/t10-,11-,12-/m1/s1
InChIKeyGQHBUUUWDXBCOG-IJLUTSLNSA-N
MW300.42 g/mol
LogP0.41
Rot. Bonds3

About (1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide

(1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 124729767) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is (1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID124729767
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name(1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1
InChIInChI=1S/C14H24N2O3S/c1-14(2)7-10(14)13(17)15-11-8-20(18,19)9-12(11)16-5-3-4-6-16/h10-12H,3-9H2,1-2H3,(H,15,17)/t10-,11-,12-/m1/s1
InChIKeyGQHBUUUWDXBCOG-IJLUTSLNSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclopropanecarboxamide
CID 95284678
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide
CID 97216677
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3-methylbut-2-enamide
CID 95333224
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide
CID 52872099
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3,3-dimethylbutanamide
CID 95281956
2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide
CID 95313255
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide
CID 95302844
N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide
CID 95298515
N-[(3R,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-6-methylpyridine-2-carboxamide
CID 95288837
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]formamide
CID 99976964
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide
CID 95285548
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
CID 95327047

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide (CID 124729767) is (1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)C[C@@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1.
What is the InChIKey of (1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is GQHBUUUWDXBCOG-IJLUTSLNSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-14(2)7-10(14)13(17)15-11-8-20(18,19)9-12(11)16-5-3-4-6-16/h10-12H,3-9H2,1-2H3,(H,15,17)/t10-,11-,12-/m1/s1.
What are the key properties of (1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide?
(1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 300.42 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 124729767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).