N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide

C13H18N2O2S — CID 174336078

IUPACN-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide
SMILESCCCc1c[nH]c2ccc(CNS(C)(=O)=O)cc12
InChIInChI=1S/C13H18N2O2S/c1-3-4-11-9-14-13-6-5-10(7-12(11)13)8-15-18(2,16)17/h5-7,9,14-15H,3-4,8H2,1-2H3
InChIKeyKGDQLNJXRYEENK-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.17
Rot. Bonds5

About N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide

N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide (PubChem CID 174336078) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide
PubChem CID174336078
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide
SMILESCCCc1c[nH]c2ccc(CNS(C)(=O)=O)cc12
InChIInChI=1S/C13H18N2O2S/c1-3-4-11-9-14-13-6-5-10(7-12(11)13)8-15-18(2,16)17/h5-7,9,14-15H,3-4,8H2,1-2H3
InChIKeyKGDQLNJXRYEENK-UHFFFAOYSA-N
XLogP2.17
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(methanesulfonamidomethyl)-1H-indol-3-yl]-2-oxoacetyl chloride
CID 12822516
N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide
CID 14209532
ethyl 2-[5-(methanesulfonamidomethyl)-1H-indol-3-yl]-2-oxoacetate
CID 12822523
N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
CID 19023013
3-propyl-1H-indol-5-ol
CID 15366338
3-[5-(methylsulfonylmethyl)-1H-indol-3-yl]propan-1-ol
CID 19921664
N-methyl-1-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methanesulfonamide
CID 10826690
1-(5-ethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490825
1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 10660550
N-[(4-butylphenyl)methyl]methanesulfonamide
CID 22246914
N-[6-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]oxy]hexyl]methanesulfonamide
CID 70100959
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[2-(methanesulfonamido)ethyl]guanidine
CID 111972314

Frequently Asked Questions

What is the IUPAC name of N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide (CID 174336078) is N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide is CCCc1c[nH]c2ccc(CNS(C)(=O)=O)cc12.
What is the InChIKey of N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide?
The InChIKey is KGDQLNJXRYEENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-4-11-9-14-13-6-5-10(7-12(11)13)8-15-18(2,16)17/h5-7,9,14-15H,3-4,8H2,1-2H3.
What are the key properties of N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide?
N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 174336078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).