N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide

C15H20N2O3S — CID 167857598

IUPACN-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C15H20N2O3S/c1-11(9-21(2,19)20)16-14(18)17-10-15(7-8-15)12-5-3-4-6-13(12)17/h3-6,11H,7-10H2,1-2H3,(H,16,18)
InChIKeyZYBBWXAXOUYKSP-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.68
Rot. Bonds3

About N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide

N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide (PubChem CID 167857598) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide
PubChem CID167857598
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)N1CC2(CC2)c2ccccc21
InChIInChI=1S/C15H20N2O3S/c1-11(9-21(2,19)20)16-14(18)17-10-15(7-8-15)12-5-3-4-6-13(12)17/h3-6,11H,7-10H2,1-2H3,(H,16,18)
InChIKeyZYBBWXAXOUYKSP-UHFFFAOYSA-N
XLogP1.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-(methylsulfonyl)propyl]acetamide
CID 3238822
N-(4-butylphenyl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 44573574
1-methylsulfonyl-N-(2-phenylphenyl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 44573616
1-(1,1-Dioxothiolan-3-yl)-3-(2-methylphenyl)urea
CID 2963355
1-(1-Cyclopropylethyl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-1-phenylurea
CID 660033
US10807988, Example SC_3147
CID 130201282
US10807988, Example SC_3289
CID 130201320
1-[1-(Ethanesulfonyl)-2,3-dihydro-1H-indol-6-YL]-3-propylurea
CID 46386097
1-Cyclohexyl-3-[1-(ethanesulfonyl)-2,3-dihydro-1H-indol-6-YL]urea
CID 46386123
1-[4-(Tert-butylsulfonylmethyl)phenyl]-3-propan-2-ylurea
CID 49631223
1-(3-Methylbutan-2-yl)-3-[4-(methylsulfonylmethyl)phenyl]urea
CID 53548049
1-[4-(Methylsulfonylmethyl)phenyl]-3-propan-2-ylurea
CID 53605553

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide (CID 167857598) is N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide is CC(CS(C)(=O)=O)NC(=O)N1CC2(CC2)c2ccccc21.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide?
The InChIKey is ZYBBWXAXOUYKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11(9-21(2,19)20)16-14(18)17-10-15(7-8-15)12-5-3-4-6-13(12)17/h3-6,11H,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide?
N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)spiro[2H-indole-3,1'-cyclopropane]-1-carboxamide is sourced from PubChem (CID 167857598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).