N-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine

C15H33NO2S — CID 158712760

IUPACN-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine
SMILESCC(C)(CCCNC(C)(C)C)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H33NO2S/c1-13(2,3)16-11-9-10-15(7,8)12-19(17,18)14(4,5)6/h16H,9-12H2,1-8H3
InChIKeyKSYOFFRQBVINEL-UHFFFAOYSA-N
MW291.50 g/mol
LogP3.39
Rot. Bonds6

About N-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine

N-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine (PubChem CID 158712760) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is N-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine
PubChem CID158712760
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC NameN-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine
SMILESCC(C)(CCCNC(C)(C)C)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H33NO2S/c1-13(2,3)16-11-9-10-15(7,8)12-19(17,18)14(4,5)6/h16H,9-12H2,1-8H3
InChIKeyKSYOFFRQBVINEL-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3,3,7,7-tetramethyloctan-1-amine
CID 134314254
4-(tert-butylamino)butane-1-sulfonic acid
CID 11264273
N-tert-butyl-5-ethylsulfonylpentan-1-amine
CID 65097015
methyl 3-(tert-butylamino)propane-1-sulfonate
CID 88578844
6-(tert-butylamino)-2-methylhexan-3-one
CID 58002890
N-tert-butyl-2-(2-tert-butylsulfonylethyl)-2,3-dimethylbutan-1-amine
CID 106730348
4-butan-2-ylsulfonyl-N-tert-butylbutan-1-amine
CID 106512726
N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine
CID 115577345
N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115520149
3-tert-butylsulfonyl-N-ethylpropan-1-amine
CID 64645773
5-tert-butylsulfonyl-2,2,4,4-tetramethylpentanenitrile
CID 129081827
CID 87664678
CID 87664678

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine?
The IUPAC name of N-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine (CID 158712760) is N-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine?
The canonical SMILES for N-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine is CC(C)(CCCNC(C)(C)C)CS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine?
The InChIKey is KSYOFFRQBVINEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2S/c1-13(2,3)16-11-9-10-15(7,8)12-19(17,18)14(4,5)6/h16H,9-12H2,1-8H3.
What are the key properties of N-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine?
N-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-tert-butylsulfonyl-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 158712760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).