N-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide

C17H29NOS — CID 55315525

IUPACN-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide
SMILESCC(C)CSC(C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NOS/c1-11(2)10-20-12(3)16(19)18-17-7-13-4-14(8-17)6-15(5-13)9-17/h11-15H,4-10H2,1-3H3,(H,18,19)
InChIKeyHZAZXOBVOYWDRD-UHFFFAOYSA-N
MW295.49 g/mol
LogP3.85
Rot. Bonds5

About N-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide

N-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide (PubChem CID 55315525) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide
PubChem CID55315525
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide
SMILESCC(C)CSC(C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H29NOS/c1-11(2)10-20-12(3)16(19)18-17-7-13-4-14(8-17)6-15(5-13)9-17/h11-15H,4-10H2,1-3H3,(H,18,19)
InChIKeyHZAZXOBVOYWDRD-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide?
The IUPAC name of N-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide (CID 55315525) is N-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide?
The canonical SMILES for N-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide is CC(C)CSC(C)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide?
The InChIKey is HZAZXOBVOYWDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-11(2)10-20-12(3)16(19)18-17-7-13-4-14(8-17)6-15(5-13)9-17/h11-15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of N-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide?
N-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide has a molecular weight of 295.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2-methylpropylsulfanyl)propanamide is sourced from PubChem (CID 55315525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).