1,4-diazepan-1-yl(thiophen-2-yl)methanone

C10H14N2OS — CID 2795677

IUPAC1,4-diazepan-1-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)N1CCCNCC1
InChIInChI=1S/C10H14N2OS/c13-10(9-3-1-8-14-9)12-6-2-4-11-5-7-12/h1,3,8,11H,2,4-7H2
InChIKeyWSYAIIHKVJXWDY-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.18
Rot. Bonds1

About 1,4-diazepan-1-yl(thiophen-2-yl)methanone

1,4-diazepan-1-yl(thiophen-2-yl)methanone (PubChem CID 2795677) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1,4-diazepan-1-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl(thiophen-2-yl)methanone
PubChem CID2795677
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1,4-diazepan-1-yl(thiophen-2-yl)methanone
SMILESO=C(c1cccs1)N1CCCNCC1
InChIInChI=1S/C10H14N2OS/c13-10(9-3-1-8-14-9)12-6-2-4-11-5-7-12/h1,3,8,11H,2,4-7H2
InChIKeyWSYAIIHKVJXWDY-UHFFFAOYSA-N
XLogP1.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 855035
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CID 2373236
tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
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N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N-cyclooctylthiophene-2-carboxamide
CID 673377
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426
N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
N-(3-methoxypropyl)thiophene-2-carboxamide
CID 2057652
N-cycloheptylthiophene-2-carboxamide
CID 2057917
N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2292963

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl(thiophen-2-yl)methanone?
The IUPAC name of 1,4-diazepan-1-yl(thiophen-2-yl)methanone (CID 2795677) is 1,4-diazepan-1-yl(thiophen-2-yl)methanone.
What is the SMILES notation for 1,4-diazepan-1-yl(thiophen-2-yl)methanone?
The canonical SMILES for 1,4-diazepan-1-yl(thiophen-2-yl)methanone is O=C(c1cccs1)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl(thiophen-2-yl)methanone?
The InChIKey is WSYAIIHKVJXWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-10(9-3-1-8-14-9)12-6-2-4-11-5-7-12/h1,3,8,11H,2,4-7H2.
What are the key properties of 1,4-diazepan-1-yl(thiophen-2-yl)methanone?
1,4-diazepan-1-yl(thiophen-2-yl)methanone has a molecular weight of 210.30 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 2795677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).