N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide

C14H18N2O2S — CID 55174736

IUPACN-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(CC#N)N(C)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2O2S/c1-11(8-9-15)16(2)19(17,18)14-7-6-12-4-3-5-13(12)10-14/h6-7,10-11H,3-5,8H2,1-2H3
InChIKeyTWSSJFSYLUPIDS-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.10
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide

N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 55174736) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID55174736
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(CC#N)N(C)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2O2S/c1-11(8-9-15)16(2)19(17,18)14-7-6-12-4-3-5-13(12)10-14/h6-7,10-11H,3-5,8H2,1-2H3
InChIKeyTWSSJFSYLUPIDS-UHFFFAOYSA-N
XLogP2.10
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 63224866
4-bromo-N-(1-cyanopropan-2-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 71997631
3-amino-4-chloro-N-(1-cyanopropan-2-yl)-N-methylbenzenesulfonamide
CID 55174715
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 55556490
N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide
CID 63228547
N-(1-cyanopropan-2-yl)-N-methyl-4-(methylamino)-3-nitrobenzenesulfonamide
CID 63228502
6-cyano-N-(1-cyanopropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 115611960
N-(2-aminoethyl)-N-propan-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348755
N-(1-cyanopropan-2-yl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 107651371
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924
N-[(2R)-1-cyanopropan-2-yl]-4-(2,2-difluoroethoxy)-N-methylbenzenesulfonamide
CID 97350960
N-[(2S)-1-cyanopropan-2-yl]-4-(2,2-difluoroethoxy)-N-methylbenzenesulfonamide
CID 97350959

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide (CID 55174736) is N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide is CC(CC#N)N(C)S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is TWSSJFSYLUPIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11(8-9-15)16(2)19(17,18)14-7-6-12-4-3-5-13(12)10-14/h6-7,10-11H,3-5,8H2,1-2H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide?
N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 55174736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).