adamantan-1-amine;4-methylbenzenesulfonamide

C17H26N2O2S — CID 22906575

IUPACadamantan-1-amine;4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1.NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N.C7H9NO2S/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-6-2-4-7(5-3-6)11(8,9)10/h7-9H,1-6,11H2;2-5H,1H3,(H2,8,9,10)
InChIKeyNRDFFZLYYBYSAX-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.56
Rot. Bonds1

About adamantan-1-amine;4-methylbenzenesulfonamide

adamantan-1-amine;4-methylbenzenesulfonamide (PubChem CID 22906575) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is adamantan-1-amine;4-methylbenzenesulfonamide.

Molecular Properties

Compound Nameadamantan-1-amine;4-methylbenzenesulfonamide
PubChem CID22906575
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Nameadamantan-1-amine;4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1.NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17N.C7H9NO2S/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-6-2-4-7(5-3-6)11(8,9)10/h7-9H,1-6,11H2;2-5H,1H3,(H2,8,9,10)
InChIKeyNRDFFZLYYBYSAX-UHFFFAOYSA-N
XLogP2.56
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of adamantan-1-amine;4-methylbenzenesulfonamide?
The IUPAC name of adamantan-1-amine;4-methylbenzenesulfonamide (CID 22906575) is adamantan-1-amine;4-methylbenzenesulfonamide.
What is the SMILES notation for adamantan-1-amine;4-methylbenzenesulfonamide?
The canonical SMILES for adamantan-1-amine;4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1.NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of adamantan-1-amine;4-methylbenzenesulfonamide?
The InChIKey is NRDFFZLYYBYSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C7H9NO2S/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-6-2-4-7(5-3-6)11(8,9)10/h7-9H,1-6,11H2;2-5H,1H3,(H2,8,9,10).
What are the key properties of adamantan-1-amine;4-methylbenzenesulfonamide?
adamantan-1-amine;4-methylbenzenesulfonamide has a molecular weight of 322.47 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for adamantan-1-amine;4-methylbenzenesulfonamide is sourced from PubChem (CID 22906575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).