1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine

C15H21N3O2S — CID 114935740

IUPAC1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine
SMILESCS(=O)(=O)N1CCCC(Cn2ccc3cccc(N)c32)C1
InChIInChI=1S/C15H21N3O2S/c1-21(19,20)18-8-3-4-12(11-18)10-17-9-7-13-5-2-6-14(16)15(13)17/h2,5-7,9,12H,3-4,8,10-11,16H2,1H3
InChIKeyXORCUCXAGVPQII-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.90
Rot. Bonds3

About 1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine

1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine (PubChem CID 114935740) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine.

Molecular Properties

Compound Name1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine
PubChem CID114935740
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine
SMILESCS(=O)(=O)N1CCCC(Cn2ccc3cccc(N)c32)C1
InChIInChI=1S/C15H21N3O2S/c1-21(19,20)18-8-3-4-12(11-18)10-17-9-7-13-5-2-6-14(16)15(13)17/h2,5-7,9,12H,3-4,8,10-11,16H2,1H3
InChIKeyXORCUCXAGVPQII-UHFFFAOYSA-N
XLogP1.90
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine
CID 79612105
4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
CID 116620114
4-bromo-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
CID 116626214
5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
CID 116623347
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,3-dihydroisoindol-4-amine
CID 79610232
1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrole-2-carbothioamide
CID 114653800
5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one
CID 79611479
2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline
CID 105223840
5-amino-6-chloro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-one
CID 114582769
1-[(1-methylsulfonylpiperidin-3-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 79611507
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
2-amino-3-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenol
CID 114764358

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine?
The IUPAC name of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine (CID 114935740) is 1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine.
What is the SMILES notation for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine?
The canonical SMILES for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine is CS(=O)(=O)N1CCCC(Cn2ccc3cccc(N)c32)C1.
What is the InChIKey of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine?
The InChIKey is XORCUCXAGVPQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-21(19,20)18-8-3-4-12(11-18)10-17-9-7-13-5-2-6-14(16)15(13)17/h2,5-7,9,12H,3-4,8,10-11,16H2,1H3.
What are the key properties of 1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine?
1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine has a molecular weight of 307.42 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine is sourced from PubChem (CID 114935740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).