3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride

C15H17ClN4O2S — CID 142724812

IUPAC3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride
SMILESCNCc1cn(S(=O)(=O)c2cccnc2)c2cc(N)ccc12.Cl
InChIInChI=1S/C15H16N4O2S.ClH/c1-17-8-11-10-19(15-7-12(16)4-5-14(11)15)22(20,21)13-3-2-6-18-9-13;/h2-7,9-10,17H,8,16H2,1H3;1H
InChIKeyDFWCQRXZWFYFAT-UHFFFAOYSA-N
MW352.85 g/mol
LogP2.00
Rot. Bonds4

About 3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride

3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride (PubChem CID 142724812) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is 3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride.

Molecular Properties

Compound Name3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride
PubChem CID142724812
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride
SMILESCNCc1cn(S(=O)(=O)c2cccnc2)c2cc(N)ccc12.Cl
InChIInChI=1S/C15H16N4O2S.ClH/c1-17-8-11-10-19(15-7-12(16)4-5-14(11)15)22(20,21)13-3-2-6-18-9-13;/h2-7,9-10,17H,8,16H2,1H3;1H
InChIKeyDFWCQRXZWFYFAT-UHFFFAOYSA-N
XLogP2.00
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine
CID 174792289
4-(3-propyl-1-pyridin-3-ylsulfonylindol-6-yl)aniline
CID 161364995
methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate
CID 174792232
[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate
CID 134346738
6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole
CID 174792264
2-[6-(bromomethyl)-1-pyridin-3-ylsulfonylindol-3-yl]ethyl carbamate
CID 175317176
1-[5-(2,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine;dihydrochloride
CID 66925105
N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine
CID 66974732
1-[5-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 118884558
1-[5-(2,5-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 66925096
N-methyl-1-[5-(6-phenyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine
CID 154725866
3-(5-pyridin-3-ylsulfonyl-[1,3]dioxolo[4,5-f]indol-7-yl)propanoic acid
CID 58837923

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride?
The IUPAC name of 3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride (CID 142724812) is 3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride.
What is the SMILES notation for 3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride?
The canonical SMILES for 3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride is CNCc1cn(S(=O)(=O)c2cccnc2)c2cc(N)ccc12.Cl.
What is the InChIKey of 3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride?
The InChIKey is DFWCQRXZWFYFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S.ClH/c1-17-8-11-10-19(15-7-12(16)4-5-14(11)15)22(20,21)13-3-2-6-18-9-13;/h2-7,9-10,17H,8,16H2,1H3;1H.
What are the key properties of 3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride?
3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride has a molecular weight of 352.85 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride is sourced from PubChem (CID 142724812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).