(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone

C11H15ClN2OS — CID 79879754

IUPAC(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)s2)CCC1N
InChIInChI=1S/C11H15ClN2OS/c1-7-6-14(5-4-8(7)13)11(15)9-2-3-10(12)16-9/h2-3,7-8H,4-6,13H2,1H3
InChIKeyXBPQJBJETHGJPN-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.21
Rot. Bonds1

About (4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone

(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone (PubChem CID 79879754) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
PubChem CID79879754
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)s2)CCC1N
InChIInChI=1S/C11H15ClN2OS/c1-7-6-14(5-4-8(7)13)11(15)9-2-3-10(12)16-9/h2-3,7-8H,4-6,13H2,1H3
InChIKeyXBPQJBJETHGJPN-UHFFFAOYSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone (CID 79879754) is (4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone is CC1CN(C(=O)c2ccc(Cl)s2)CCC1N.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
The InChIKey is XBPQJBJETHGJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-7-6-14(5-4-8(7)13)11(15)9-2-3-10(12)16-9/h2-3,7-8H,4-6,13H2,1H3.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone?
(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone has a molecular weight of 258.77 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 79879754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).