N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine

C11H25NO2S — CID 81020030

IUPACN-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine
SMILESCC(CCNC(C)(C)C)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-10(7-9-15(5,13)14)6-8-12-11(2,3)4/h10,12H,6-9H2,1-5H3
InChIKeyCJBZHOGICISUNV-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds6

About N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine

N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine (PubChem CID 81020030) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine
PubChem CID81020030
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine
SMILESCC(CCNC(C)(C)C)CCS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-10(7-9-15(5,13)14)6-8-12-11(2,3)4/h10,12H,6-9H2,1-5H3
InChIKeyCJBZHOGICISUNV-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine (CID 81020030) is N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine is CC(CCNC(C)(C)C)CCS(C)(=O)=O.
What is the InChIKey of N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine?
The InChIKey is CJBZHOGICISUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-10(7-9-15(5,13)14)6-8-12-11(2,3)4/h10,12H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine?
N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine is sourced from PubChem (CID 81020030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).