1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine

C15H27NOS — CID 64655802

IUPAC1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine
SMILESCC(C)S(=O)CC(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NOS/c1-10(2)18(17)9-14(16)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-14H,3-9,16H2,1-2H3
InChIKeyYJVDXYKYDBVONR-UHFFFAOYSA-N
MW269.45 g/mol
LogP2.69
Rot. Bonds4

About 1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine

1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine (PubChem CID 64655802) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine
PubChem CID64655802
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine
SMILESCC(C)S(=O)CC(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NOS/c1-10(2)18(17)9-14(16)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-14H,3-9,16H2,1-2H3
InChIKeyYJVDXYKYDBVONR-UHFFFAOYSA-N
XLogP2.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine?
The IUPAC name of 1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine (CID 64655802) is 1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine is CC(C)S(=O)CC(N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine?
The InChIKey is YJVDXYKYDBVONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-10(2)18(17)9-14(16)15-6-11-3-12(7-15)5-13(4-11)8-15/h10-14H,3-9,16H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine?
1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine has a molecular weight of 269.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine is sourced from PubChem (CID 64655802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).