N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine

C13H29NO2S — CID 83138361

IUPACN-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine
SMILESCC(C)(C)NCC(CCS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-12(2,3)11(8-9-17(7,15)16)10-14-13(4,5)6/h11,14H,8-10H2,1-7H3
InChIKeyDZMSQGBGDUSLDJ-UHFFFAOYSA-N
MW263.45 g/mol
LogP2.47
Rot. Bonds5

About N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine

N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine (PubChem CID 83138361) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine
PubChem CID83138361
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine
SMILESCC(C)(C)NCC(CCS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-12(2,3)11(8-9-17(7,15)16)10-14-13(4,5)6/h11,14H,8-10H2,1-7H3
InChIKeyDZMSQGBGDUSLDJ-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-methyl-4-methylsulfonylbutan-1-amine
CID 62528090
3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-ol
CID 83139457
N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine
CID 81020030
2-tert-butyl-5-methylsulfonyl-N-propylpentan-1-amine
CID 83139123
N,2-ditert-butyldodecan-1-amine
CID 83141382
N-tert-butyl-2-(4-chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 79438198
N',2-ditert-butylpropane-1,3-diamine
CID 139363560
N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine
CID 112570097
N,2-ditert-butyl-4-methylpentan-1-amine
CID 83138454
N-tert-butyl-2-(2-ethylsulfonylethyl)-3-methylbutan-1-amine
CID 62530526
2-(2-tert-butylsulfonylethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 106730297
N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457239

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine?
The IUPAC name of N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine (CID 83138361) is N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine is CC(C)(C)NCC(CCS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine?
The InChIKey is DZMSQGBGDUSLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-12(2,3)11(8-9-17(7,15)16)10-14-13(4,5)6/h11,14H,8-10H2,1-7H3.
What are the key properties of N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine?
N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-dimethyl-2-(2-methylsulfonylethyl)butan-1-amine is sourced from PubChem (CID 83138361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).