[3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone

C16H23N3OS — CID 103524852

IUPAC[3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone
SMILESNc1c(C(=O)C2CC2)sc(N2CCCNCC2)c1C1CC1
InChIInChI=1S/C16H23N3OS/c17-13-12(10-2-3-10)16(19-8-1-6-18-7-9-19)21-15(13)14(20)11-4-5-11/h10-11,18H,1-9,17H2
InChIKeyMQLHYJIXVIGLEQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.60
Rot. Bonds4

About [3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone

[3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103524852) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is [3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone
PubChem CID103524852
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name[3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone
SMILESNc1c(C(=O)C2CC2)sc(N2CCCNCC2)c1C1CC1
InChIInChI=1S/C16H23N3OS/c17-13-12(10-2-3-10)16(19-8-1-6-18-7-9-19)21-15(13)14(20)11-4-5-11/h10-11,18H,1-9,17H2
InChIKeyMQLHYJIXVIGLEQ-UHFFFAOYSA-N
XLogP2.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone
CID 103419841
3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide
CID 103420635
1-(3-amino-4-cyclopropyl-5-pyrrolidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103418929
3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419872
3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
CID 103419645
(3-amino-4-propan-2-yloxy-5-pyrrolidin-1-ylthiophen-2-yl)-cyclopropylmethanone
CID 103418958
methyl 3-amino-4-cyano-5-(1,4-diazepan-1-yl)thiophene-2-carboxylate
CID 103524882
1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419343
1-[3-amino-4-cyclopropyl-5-[4-(hydroxymethyl)piperidin-1-yl]thiophen-2-yl]ethanone
CID 103418331
4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419846
1-[3-amino-5-(1,4-diazepan-1-yl)-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103524860
1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422591

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone (CID 103524852) is [3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone is Nc1c(C(=O)C2CC2)sc(N2CCCNCC2)c1C1CC1.
What is the InChIKey of [3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is MQLHYJIXVIGLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c17-13-12(10-2-3-10)16(19-8-1-6-18-7-9-19)21-15(13)14(20)11-4-5-11/h10-11,18H,1-9,17H2.
What are the key properties of [3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone?
[3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 305.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-cyclopropyl-5-(1,4-diazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103524852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).