N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide

C13H20N2O2S — CID 94200081

IUPACN-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
SMILESC[C@H]1Cc2ccccc2N1CCCNS(C)(=O)=O
InChIInChI=1S/C13H20N2O2S/c1-11-10-12-6-3-4-7-13(12)15(11)9-5-8-14-18(2,16)17/h3-4,6-7,11,14H,5,8-10H2,1-2H3/t11-/m0/s1
InChIKeyDQZSVSMEPLEBCK-NSHDSACASA-N
MW268.38 g/mol
LogP1.38
Rot. Bonds5

About N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide

N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide (PubChem CID 94200081) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
PubChem CID94200081
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
SMILESC[C@H]1Cc2ccccc2N1CCCNS(C)(=O)=O
InChIInChI=1S/C13H20N2O2S/c1-11-10-12-6-3-4-7-13(12)15(11)9-5-8-14-18(2,16)17/h3-4,6-7,11,14H,5,8-10H2,1-2H3/t11-/m0/s1
InChIKeyDQZSVSMEPLEBCK-NSHDSACASA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-methyl-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzenesulfonamide
CID 133189855
6-methoxy-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]naphthalene-2-sulfonamide
CID 133161449
4-(2-methyl-2,3-dihydroindol-1-yl)-N-propylbutan-1-amine
CID 55070127
1-(4-bromobutyl)-2-methyl-2,3-dihydroindole
CID 61286704
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62424967
(2R)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100674924
N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133262206
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100517277
3-ethyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100726632
N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100514224

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide (CID 94200081) is N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide is C[C@H]1Cc2ccccc2N1CCCNS(C)(=O)=O.
What is the InChIKey of N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide?
The InChIKey is DQZSVSMEPLEBCK-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-10-12-6-3-4-7-13(12)15(11)9-5-8-14-18(2,16)17/h3-4,6-7,11,14H,5,8-10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide?
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 94200081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).