2,2-dimethyl-5-propylsulfonylpentan-1-amine

C10H23NO2S — CID 65263142

IUPAC2,2-dimethyl-5-propylsulfonylpentan-1-amine
SMILESCCCS(=O)(=O)CCCC(C)(C)CN
InChIInChI=1S/C10H23NO2S/c1-4-7-14(12,13)8-5-6-10(2,3)9-11/h4-9,11H2,1-3H3
InChIKeyYAJFTYBCMAEGRF-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.58
Rot. Bonds7

About 2,2-dimethyl-5-propylsulfonylpentan-1-amine

2,2-dimethyl-5-propylsulfonylpentan-1-amine (PubChem CID 65263142) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 2,2-dimethyl-5-propylsulfonylpentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-propylsulfonylpentan-1-amine
PubChem CID65263142
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name2,2-dimethyl-5-propylsulfonylpentan-1-amine
SMILESCCCS(=O)(=O)CCCC(C)(C)CN
InChIInChI=1S/C10H23NO2S/c1-4-7-14(12,13)8-5-6-10(2,3)9-11/h4-9,11H2,1-3H3
InChIKeyYAJFTYBCMAEGRF-UHFFFAOYSA-N
XLogP1.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propylsulfonylpropane
CID 11709
2,2-dimethyloctan-1-amine
CID 62739423
methyl 2-(6-amino-5,5-dimethylhexyl)sulfonylacetate
CID 106714759
3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol
CID 106734029
5-ethylsulfonyl-2-fluoro-2-propylpentan-1-amine
CID 112567863
2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine
CID 106722748
2-propylsulfonylethanamine;hydrochloride
CID 87608994
1-ethylsulfonyl-4,4-dimethylpentane
CID 11148231
2,2-dimethyl-5-[(3-methylphenyl)methylsulfonyl]pentan-1-amine
CID 65263400
6-ethylsulfonyl-3,3-dimethyl-N-propylhexan-1-amine
CID 81022072
N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661692
N',2,2-trimethyl-N'-propylpentane-1,5-diamine
CID 65254018

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-propylsulfonylpentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-propylsulfonylpentan-1-amine (CID 65263142) is 2,2-dimethyl-5-propylsulfonylpentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-propylsulfonylpentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-propylsulfonylpentan-1-amine is CCCS(=O)(=O)CCCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-5-propylsulfonylpentan-1-amine?
The InChIKey is YAJFTYBCMAEGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-4-7-14(12,13)8-5-6-10(2,3)9-11/h4-9,11H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-propylsulfonylpentan-1-amine?
2,2-dimethyl-5-propylsulfonylpentan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-propylsulfonylpentan-1-amine is sourced from PubChem (CID 65263142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).