1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine

C15H27NOS — CID 64656628

IUPAC1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine
SMILESCCNC(CS(C)=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NOS/c1-3-16-14(10-18(2)17)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-14,16H,3-10H2,1-2H3
InChIKeyNTRYIMBKUDAYCX-UHFFFAOYSA-N
MW269.45 g/mol
LogP2.56
Rot. Bonds5

About 1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine

1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine (PubChem CID 64656628) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine
PubChem CID64656628
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine
SMILESCCNC(CS(C)=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NOS/c1-3-16-14(10-18(2)17)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-14,16H,3-10H2,1-2H3
InChIKeyNTRYIMBKUDAYCX-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-N-ethylhex-4-yn-1-amine
CID 104805387
1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63420269
1-(1-adamantyl)-N-propylpropan-1-amine
CID 63420045
1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine
CID 64654604
N-[1-(1-adamantyl)propyl]ethanesulfonamide
CID 22201503
1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 63419605
1-(1-adamantyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62796574
1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine
CID 64655802
1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine
CID 63420224
1-(1-chloropropyl)adamantane
CID 89114762
1-(1-adamantyl)-3-ethyl-N-methylpentan-1-amine
CID 82923509
N,3-diethyl-1-(3-methyl-1-adamantyl)pentan-1-amine
CID 105028422

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine?
The IUPAC name of 1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine (CID 64656628) is 1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine is CCNC(CS(C)=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine?
The InChIKey is NTRYIMBKUDAYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-3-16-14(10-18(2)17)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine?
1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine has a molecular weight of 269.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-ethyl-2-methylsulfinylethanamine is sourced from PubChem (CID 64656628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).