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

C9H22N2O2S — CID 63190976

IUPACN',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
SMILESCC(CN)CN(C)CCCS(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-9(7-10)8-11(2)5-4-6-14(3,12)13/h9H,4-8,10H2,1-3H3
InChIKeyBDWMAOOJAANLLW-UHFFFAOYSA-N
MW222.35 g/mol
LogP-0.05
Rot. Bonds7

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

N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine (PubChem CID 63190976) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
PubChem CID63190976
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
SMILESCC(CN)CN(C)CCCS(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-9(7-10)8-11(2)5-4-6-14(3,12)13/h9H,4-8,10H2,1-3H3
InChIKeyBDWMAOOJAANLLW-UHFFFAOYSA-N
XLogP-0.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine (CID 63190976) is N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine is CC(CN)CN(C)CCCS(C)(=O)=O.
What is the InChIKey of N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
The InChIKey is BDWMAOOJAANLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-9(7-10)8-11(2)5-4-6-14(3,12)13/h9H,4-8,10H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine?
N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine has a molecular weight of 222.35 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63190976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).