N-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide

C16H20N2O3S — CID 97264616

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide
SMILESCC(C)n1ccc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc21
InChIInChI=1S/C16H20N2O3S/c1-11(2)18-7-5-12-3-4-13(9-15(12)18)16(19)17-14-6-8-22(20,21)10-14/h3-5,7,9,11,14H,6,8,10H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyKKZJFPWACGWXBV-CQSZACIVSA-N
MW320.41 g/mol
LogP2.14
Rot. Bonds3

About N-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide

N-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide (PubChem CID 97264616) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide
PubChem CID97264616
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide
SMILESCC(C)n1ccc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc21
InChIInChI=1S/C16H20N2O3S/c1-11(2)18-7-5-12-3-4-13(9-15(12)18)16(19)17-14-6-8-22(20,21)10-14/h3-5,7,9,11,14H,6,8,10H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyKKZJFPWACGWXBV-CQSZACIVSA-N
XLogP2.14
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-hydroxy-4-methylbenzamide
CID 43176544
N-(1,1-dioxothiolan-3-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766510
N-[(3S)-1,1-dioxothiolan-3-yl]-4-propan-2-yloxybenzamide
CID 7164305
4-bromo-N-(1,1-dioxothiolan-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640729
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7083020
1-propan-2-yl-N-(2-pyridin-4-ylethyl)indole-6-carboxamide
CID 71704832
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7186323
N-(1,1-dioxothiolan-3-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2963677
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7126622
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide (CID 97264616) is N-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide is CC(C)n1ccc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc21.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide?
The InChIKey is KKZJFPWACGWXBV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11(2)18-7-5-12-3-4-13(9-15(12)18)16(19)17-14-6-8-22(20,21)10-14/h3-5,7,9,11,14H,6,8,10H2,1-2H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-1-propan-2-ylindole-6-carboxamide is sourced from PubChem (CID 97264616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).