N-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide

C17H21N3OS — CID 2766138

IUPACN-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc2c3ccccc3n(C)c2s1
InChIInChI=1S/C17H21N3OS/c1-19(2)10-6-9-18-16(21)15-11-13-12-7-4-5-8-14(12)20(3)17(13)22-15/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,18,21)
InChIKeyCTEWFSJFJOWRPL-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.07
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide

N-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide (PubChem CID 2766138) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide
PubChem CID2766138
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc2c3ccccc3n(C)c2s1
InChIInChI=1S/C17H21N3OS/c1-19(2)10-6-9-18-16(21)15-11-13-12-7-4-5-8-14(12)20(3)17(13)22-15/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,18,21)
InChIKeyCTEWFSJFJOWRPL-UHFFFAOYSA-N
XLogP3.07
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide (CID 2766138) is N-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide is CN(C)CCCNC(=O)c1cc2c3ccccc3n(C)c2s1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide?
The InChIKey is CTEWFSJFJOWRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-19(2)10-6-9-18-16(21)15-11-13-12-7-4-5-8-14(12)20(3)17(13)22-15/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,18,21).
What are the key properties of N-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide?
N-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-methylthieno[2,3-b]indole-2-carboxamide is sourced from PubChem (CID 2766138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).