N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine

C10H24N2O2S — CID 63190975

IUPACN'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
SMILESCCN(CCCS(C)(=O)=O)CC(C)CN
InChIInChI=1S/C10H24N2O2S/c1-4-12(9-10(2)8-11)6-5-7-15(3,13)14/h10H,4-9,11H2,1-3H3
InChIKeyNBEOUYVBFLPRCU-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.34
Rot. Bonds8

About N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine

N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine (PubChem CID 63190975) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
PubChem CID63190975
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
SMILESCCN(CCCS(C)(=O)=O)CC(C)CN
InChIInChI=1S/C10H24N2O2S/c1-4-12(9-10(2)8-11)6-5-7-15(3,13)14/h10H,4-9,11H2,1-3H3
InChIKeyNBEOUYVBFLPRCU-UHFFFAOYSA-N
XLogP0.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190976
N-(3-amino-2-methylpropyl)-N-ethyl-2-methylsulfonylethanesulfonamide
CID 55173886
N'-ethyl-2,2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 79668372
4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide
CID 63893078
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79482047
N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 59762109
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503
3-[(3-amino-2-methylpropyl)-ethylamino]-N-methylpropanamide
CID 62325300
N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine
CID 82889621
N,N-diethyl-2-methylsulfonylethanamine
CID 11435289
1-bromo-N-methyl-N-(3-methylsulfonylpropyl)propan-2-amine
CID 104554983
N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine
CID 82683161

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine (CID 63190975) is N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine is CCN(CCCS(C)(=O)=O)CC(C)CN.
What is the InChIKey of N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
The InChIKey is NBEOUYVBFLPRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-4-12(9-10(2)8-11)6-5-7-15(3,13)14/h10H,4-9,11H2,1-3H3.
What are the key properties of N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine has a molecular weight of 236.38 g/mol, XLogP of 0.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63190975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).