N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide

C17H27N3O2S — CID 147377568

IUPACN-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide
SMILESCNCCCCN(CCCc1c[nH]c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C17H27N3O2S/c1-18-11-5-6-12-20(23(2,21)22)13-7-8-15-14-19-17-10-4-3-9-16(15)17/h3-4,9-10,14,18-19H,5-8,11-13H2,1-2H3
InChIKeyDKHYGJCLUGVLIO-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.36
Rot. Bonds10

About N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide

N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide (PubChem CID 147377568) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide
PubChem CID147377568
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide
SMILESCNCCCCN(CCCc1c[nH]c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C17H27N3O2S/c1-18-11-5-6-12-20(23(2,21)22)13-7-8-15-14-19-17-10-4-3-9-16(15)17/h3-4,9-10,14,18-19H,5-8,11-13H2,1-2H3
InChIKeyDKHYGJCLUGVLIO-UHFFFAOYSA-N
XLogP2.36
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide
CID 113067812
N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide
CID 113140591
tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate
CID 54124659
2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113152453
N-[2-(1H-indol-3-yl)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153236
N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056159
2-(1H-indol-3-yl)-N,N-dimethylethanamine;N-(5-sulfanylpentyl)ethanesulfonamide
CID 91578636
N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152451
2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
CID 113068448
S-amino 4-(1H-indol-3-yl)butanethioate
CID 87254354

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide?
The IUPAC name of N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide (CID 147377568) is N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide is CNCCCCN(CCCc1c[nH]c2ccccc12)S(C)(=O)=O.
What is the InChIKey of N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide?
The InChIKey is DKHYGJCLUGVLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-18-11-5-6-12-20(23(2,21)22)13-7-8-15-14-19-17-10-4-3-9-16(15)17/h3-4,9-10,14,18-19H,5-8,11-13H2,1-2H3.
What are the key properties of N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide?
N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide has a molecular weight of 337.49 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide is sourced from PubChem (CID 147377568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).