(4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone

C14H22N2OS — CID 6471042

IUPAC(4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCN(C)CC2)cs1
InChIInChI=1S/C14H22N2OS/c1-3-5-13-10-12(11-18-13)14(17)16-7-4-6-15(2)8-9-16/h10-11H,3-9H2,1-2H3
InChIKeyYRVMVANALDYBPB-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.48
Rot. Bonds3

About (4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone

(4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone (PubChem CID 6471042) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone
PubChem CID6471042
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCCN(C)CC2)cs1
InChIInChI=1S/C14H22N2OS/c1-3-5-13-10-12(11-18-13)14(17)16-7-4-6-15(2)8-9-16/h10-11H,3-9H2,1-2H3
InChIKeyYRVMVANALDYBPB-UHFFFAOYSA-N
XLogP2.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone (CID 6471042) is (4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone is CCCc1cc(C(=O)N2CCCN(C)CC2)cs1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone?
The InChIKey is YRVMVANALDYBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-5-13-10-12(11-18-13)14(17)16-7-4-6-15(2)8-9-16/h10-11H,3-9H2,1-2H3.
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone?
(4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone has a molecular weight of 266.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-1-yl)-(5-propylthiophen-3-yl)methanone is sourced from PubChem (CID 6471042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).