N-(4-methylsulfanylbutyl)adamantan-2-amine

C15H27NS — CID 115721405

IUPACN-(4-methylsulfanylbutyl)adamantan-2-amine
SMILESCSCCCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H27NS/c1-17-5-3-2-4-16-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-16H,2-10H2,1H3
InChIKeyUYZGJNOGQZSLHP-UHFFFAOYSA-N
MW253.45 g/mol
LogP3.54
Rot. Bonds6

About N-(4-methylsulfanylbutyl)adamantan-2-amine

N-(4-methylsulfanylbutyl)adamantan-2-amine (PubChem CID 115721405) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)adamantan-2-amine
PubChem CID115721405
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC NameN-(4-methylsulfanylbutyl)adamantan-2-amine
SMILESCSCCCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H27NS/c1-17-5-3-2-4-16-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-16H,2-10H2,1H3
InChIKeyUYZGJNOGQZSLHP-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)adamantan-2-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)adamantan-2-amine (CID 115721405) is N-(4-methylsulfanylbutyl)adamantan-2-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)adamantan-2-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)adamantan-2-amine is CSCCCCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(4-methylsulfanylbutyl)adamantan-2-amine?
The InChIKey is UYZGJNOGQZSLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-17-5-3-2-4-16-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-16H,2-10H2,1H3.
What are the key properties of N-(4-methylsulfanylbutyl)adamantan-2-amine?
N-(4-methylsulfanylbutyl)adamantan-2-amine has a molecular weight of 253.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)adamantan-2-amine is sourced from PubChem (CID 115721405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).