N-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide

C13H17N3OS — CID 169169160

IUPACN-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide
SMILESCNSCc1ccc2[nH]cc(CCNC=O)c2c1
InChIInChI=1S/C13H17N3OS/c1-14-18-8-10-2-3-13-12(6-10)11(7-16-13)4-5-15-9-17/h2-3,6-7,9,14,16H,4-5,8H2,1H3,(H,15,17)
InChIKeyRUYLWDUSYIKNGT-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.82
Rot. Bonds7

About N-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide

N-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide (PubChem CID 169169160) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide
PubChem CID169169160
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide
SMILESCNSCc1ccc2[nH]cc(CCNC=O)c2c1
InChIInChI=1S/C13H17N3OS/c1-14-18-8-10-2-3-13-12(6-10)11(7-16-13)4-5-15-9-17/h2-3,6-7,9,14,16H,4-5,8H2,1H3,(H,15,17)
InChIKeyRUYLWDUSYIKNGT-UHFFFAOYSA-N
XLogP1.82
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide
CID 14209532
N-methyl-1-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methanesulfonamide
CID 10826690
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
CID 70391610
1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 10660550
1-(5-ethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490825
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine
CID 166157928
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid
CID 14181017
3-[5-(methylsulfonylmethyl)-1H-indol-3-yl]propan-1-ol
CID 19921664
N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide
CID 174336078
2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine
CID 96674958
benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate
CID 14555103

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide?
The IUPAC name of N-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide (CID 169169160) is N-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide?
The canonical SMILES for N-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide is CNSCc1ccc2[nH]cc(CCNC=O)c2c1.
What is the InChIKey of N-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide?
The InChIKey is RUYLWDUSYIKNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-14-18-8-10-2-3-13-12(6-10)11(7-16-13)4-5-15-9-17/h2-3,6-7,9,14,16H,4-5,8H2,1H3,(H,15,17).
What are the key properties of N-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide?
N-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide has a molecular weight of 263.37 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(methylaminosulfanylmethyl)-1H-indol-3-yl]ethyl]formamide is sourced from PubChem (CID 169169160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).