N,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine

C15H25NO2S — CID 155208585

IUPACN,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine
SMILESCC(C)S(=O)(=O)C1=CCCC2C1C=CCC2N(C)C
InChIInChI=1S/C15H25NO2S/c1-11(2)19(17,18)15-10-6-7-12-13(15)8-5-9-14(12)16(3)4/h5,8,10-14H,6-7,9H2,1-4H3
InChIKeyYYOOPKCVLHYJDU-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.61
Rot. Bonds3

About N,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine

N,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine (PubChem CID 155208585) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine
PubChem CID155208585
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine
SMILESCC(C)S(=O)(=O)C1=CCCC2C1C=CCC2N(C)C
InChIInChI=1S/C15H25NO2S/c1-11(2)19(17,18)15-10-6-7-12-13(15)8-5-9-14(12)16(3)4/h5,8,10-14H,6-7,9H2,1-4H3
InChIKeyYYOOPKCVLHYJDU-UHFFFAOYSA-N
XLogP2.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine?
The IUPAC name of N,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine (CID 155208585) is N,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine.
What is the SMILES notation for N,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine?
The canonical SMILES for N,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine is CC(C)S(=O)(=O)C1=CCCC2C1C=CCC2N(C)C.
What is the InChIKey of N,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine?
The InChIKey is YYOOPKCVLHYJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-11(2)19(17,18)15-10-6-7-12-13(15)8-5-9-14(12)16(3)4/h5,8,10-14H,6-7,9H2,1-4H3.
What are the key properties of N,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine?
N,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-propan-2-ylsulfonyl-1,2,4a,7,8,8a-hexahydronaphthalen-1-amine is sourced from PubChem (CID 155208585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).