[3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone

C16H26N2OS — CID 103509848

IUPAC[3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone
SMILESCC(C)CN(CC(C)C)c1cc(N)c(C(=O)C2CC2)s1
InChIInChI=1S/C16H26N2OS/c1-10(2)8-18(9-11(3)4)14-7-13(17)16(20-14)15(19)12-5-6-12/h7,10-12H,5-6,8-9,17H2,1-4H3
InChIKeyFPUGUGZRPAVWJL-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.04
Rot. Bonds7

About [3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103509848) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is [3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone
PubChem CID103509848
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name[3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone
SMILESCC(C)CN(CC(C)C)c1cc(N)c(C(=O)C2CC2)s1
InChIInChI=1S/C16H26N2OS/c1-10(2)8-18(9-11(3)4)14-7-13(17)16(20-14)15(19)12-5-6-12/h7,10-12H,5-6,8-9,17H2,1-4H3
InChIKeyFPUGUGZRPAVWJL-UHFFFAOYSA-N
XLogP4.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103417820
3-amino-5-[bis(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103509837
3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422442
1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one
CID 103419253
4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile
CID 103421117
[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103418719
[3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone
CID 103507702
ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421088
[3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103417890
3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide
CID 107403346
[3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103509114
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone
CID 103422109

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone (CID 103509848) is [3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone is CC(C)CN(CC(C)C)c1cc(N)c(C(=O)C2CC2)s1.
What is the InChIKey of [3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is FPUGUGZRPAVWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-10(2)8-18(9-11(3)4)14-7-13(17)16(20-14)15(19)12-5-6-12/h7,10-12H,5-6,8-9,17H2,1-4H3.
What are the key properties of [3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 294.46 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[bis(2-methylpropyl)amino]thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103509848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).