N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine

C10H24N2O2S — CID 115577345

IUPACN'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine
SMILESCC(C)(C)NCCCNCCS(C)(=O)=O
InChIInChI=1S/C10H24N2O2S/c1-10(2,3)12-7-5-6-11-8-9-15(4,13)14/h11-12H,5-9H2,1-4H3
InChIKeyCJLVYXXMAQUZJX-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.40
Rot. Bonds7

About N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine

N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine (PubChem CID 115577345) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine
PubChem CID115577345
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine
SMILESCC(C)(C)NCCCNCCS(C)(=O)=O
InChIInChI=1S/C10H24N2O2S/c1-10(2,3)12-7-5-6-11-8-9-15(4,13)14/h11-12H,5-9H2,1-4H3
InChIKeyCJLVYXXMAQUZJX-UHFFFAOYSA-N
XLogP0.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-tert-butylpropane-1,3-diamine
CID 60669474
N-(2-methylsulfonylethyl)nonan-1-amine
CID 60918921
2,2-dimethyl-5-(2-methylsulfonylethylamino)pentanenitrile
CID 65253811
6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine
CID 107844608
5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine
CID 107320276
4-(tert-butylamino)butane-1-sulfonic acid
CID 11264273
N-(2-iodoethyl)-2-methylsulfonylethanamine
CID 114505554
N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62560122
N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115520149
N-tert-butyl-5-ethylsulfonylpentan-1-amine
CID 65097015
3-methoxy-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 103033177
N-tert-butyl-3-methyl-5-methylsulfonylpentan-1-amine
CID 81020030

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine?
The IUPAC name of N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine (CID 115577345) is N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine?
The canonical SMILES for N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine is CC(C)(C)NCCCNCCS(C)(=O)=O.
What is the InChIKey of N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine?
The InChIKey is CJLVYXXMAQUZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-10(2,3)12-7-5-6-11-8-9-15(4,13)14/h11-12H,5-9H2,1-4H3.
What are the key properties of N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine?
N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine has a molecular weight of 236.38 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2-methylsulfonylethyl)propane-1,3-diamine is sourced from PubChem (CID 115577345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).