[3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone

C15H22N2O2S — CID 107409245

IUPAC[3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone
SMILESCC1(O)CCCN(c2cc(N)c(C(=O)C3CC3)s2)CC1
InChIInChI=1S/C15H22N2O2S/c1-15(19)5-2-7-17(8-6-15)12-9-11(16)14(20-12)13(18)10-3-4-10/h9-10,19H,2-8,16H2,1H3
InChIKeyIWIDDEBQUBRAOM-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.66
Rot. Bonds3

About [3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone

[3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone (PubChem CID 107409245) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone
PubChem CID107409245
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name[3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone
SMILESCC1(O)CCCN(c2cc(N)c(C(=O)C3CC3)s2)CC1
InChIInChI=1S/C15H22N2O2S/c1-15(19)5-2-7-17(8-6-15)12-9-11(16)14(20-12)13(18)10-3-4-10/h9-10,19H,2-8,16H2,1H3
InChIKeyIWIDDEBQUBRAOM-UHFFFAOYSA-N
XLogP2.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-amino-5-(4-ethylpiperazin-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103418719
[3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103509114
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103506581
[3-amino-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]thiophen-2-yl]-cyclopropylmethanone
CID 103507702
ethyl 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 103506587
1-(3-amino-5-piperidin-1-ylthiophen-2-yl)ethanone
CID 103419795
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506550
3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418986
[3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103420026
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103506582
[3-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103422726
1-[3-amino-5-(4-propan-2-ylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422612

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone (CID 107409245) is [3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone is CC1(O)CCCN(c2cc(N)c(C(=O)C3CC3)s2)CC1.
What is the InChIKey of [3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is IWIDDEBQUBRAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(19)5-2-7-17(8-6-15)12-9-11(16)14(20-12)13(18)10-3-4-10/h9-10,19H,2-8,16H2,1H3.
What are the key properties of [3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 294.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(4-hydroxy-4-methylazepan-1-yl)thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 107409245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).