(3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C15H20N4OS — CID 97192622

IUPAC(3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1nc(N[C@@H]2COC3(CCNCC3)C2)c2ccsc2n1
InChIInChI=1S/C15H20N4OS/c1-10-17-13(12-2-7-21-14(12)18-10)19-11-8-15(20-9-11)3-5-16-6-4-15/h2,7,11,16H,3-6,8-9H2,1H3,(H,17,18,19)/t11-/m0/s1
InChIKeyQXONBIGXQMFYHC-NSHDSACASA-N
MW304.42 g/mol
LogP2.32
Rot. Bonds2

About (3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

(3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 97192622) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID97192622
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1nc(N[C@@H]2COC3(CCNCC3)C2)c2ccsc2n1
InChIInChI=1S/C15H20N4OS/c1-10-17-13(12-2-7-21-14(12)18-10)19-11-8-15(20-9-11)3-5-16-6-4-15/h2,7,11,16H,3-6,8-9H2,1H3,(H,17,18,19)/t11-/m0/s1
InChIKeyQXONBIGXQMFYHC-NSHDSACASA-N
XLogP2.32
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 97192622) is (3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is Cc1nc(N[C@@H]2COC3(CCNCC3)C2)c2ccsc2n1.
What is the InChIKey of (3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is QXONBIGXQMFYHC-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-17-13(12-2-7-21-14(12)18-10)19-11-8-15(20-9-11)3-5-16-6-4-15/h2,7,11,16H,3-6,8-9H2,1H3,(H,17,18,19)/t11-/m0/s1.
What are the key properties of (3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
(3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 304.42 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 97192622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).