(4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone

C11H16N2OS — CID 6464722

IUPAC(4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
SMILESCN1CCCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H16N2OS/c1-12-5-3-6-13(8-7-12)11(14)10-4-2-9-15-10/h2,4,9H,3,5-8H2,1H3
InChIKeyYKKQINWQOJOKIP-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.53
Rot. Bonds1

About (4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone

(4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone (PubChem CID 6464722) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
PubChem CID6464722
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
SMILESCN1CCCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H16N2OS/c1-12-5-3-6-13(8-7-12)11(14)10-4-2-9-15-10/h2,4,9H,3,5-8H2,1H3
InChIKeyYKKQINWQOJOKIP-UHFFFAOYSA-N
XLogP1.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
(4-Ethyl-5-methylthiophen-3-yl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 6466910
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
1-(1-Piperidinylsulfonyl)-4-(2-thienylcarbonyl)piperazine
CID 1258912
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylthiophen-2-yl)-methanone
CID 11631394
(1,4-Diazepan-1-yl)(thiophen-2-yl)methanone
CID 2795677
N-[2-(dimethylamino)ethyl]-5-ethyl-3-thiophenecarboxamide
CID 1247079
Azepan-1-yl-(5-methylthiophen-3-yl)methanone
CID 1247215
N-[2-[2-(dibutylamino)ethylamino]-2-oxoethyl]-2-thiophenecarboxamide
CID 9551015
(4-Benzyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 60368755

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone (CID 6464722) is (4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone is CN1CCCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone?
The InChIKey is YKKQINWQOJOKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-12-5-3-6-13(8-7-12)11(14)10-4-2-9-15-10/h2,4,9H,3,5-8H2,1H3.
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone?
(4-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone has a molecular weight of 224.33 g/mol, XLogP of 1.53, 1 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)-thiophen-2-ylmethanone is sourced from PubChem (CID 6464722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).