N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine

C10H23NO2S — CID 62528090

IUPACN-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine
SMILESCC(CCS(C)(=O)=O)CNC(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-9(6-7-14(5,12)13)8-11-10(2,3)4/h9,11H,6-8H2,1-5H3
InChIKeyZCLQSSAXKLDKFN-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.45
Rot. Bonds5

About N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine

N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine (PubChem CID 62528090) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine
PubChem CID62528090
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine
SMILESCC(CCS(C)(=O)=O)CNC(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-9(6-7-14(5,12)13)8-11-10(2,3)4/h9,11H,6-8H2,1-5H3
InChIKeyZCLQSSAXKLDKFN-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine
CID 81020030
N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine
CID 83138361
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
N-tert-butyl-2,5,5-trimethylhexan-1-amine
CID 62529296
N-tert-butyl-2-(4-chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 79438198
N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine
CID 112570097
N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine
CID 62530526
3-methyl-1-methylsulfonylbutane
CID 20712453
N-tert-butyl-6-ethylsulfonyl-2,3-dimethylhexan-1-amine
CID 81015107
N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine
CID 106512791
N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195916
3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-ol
CID 83139457

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine (CID 62528090) is N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine is CC(CCS(C)(=O)=O)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine?
The InChIKey is ZCLQSSAXKLDKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-9(6-7-14(5,12)13)8-11-10(2,3)4/h9,11H,6-8H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine?
N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 62528090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).