N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine

C11H26N2O2S — CID 106722606

IUPACN'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine
SMILESCCCS(=O)(=O)CCN(CCCN)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-4-9-16(14,15)10-8-13(11(2)3)7-5-6-12/h11H,4-10,12H2,1-3H3
InChIKeyWDVZYIBEOOUHBB-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.87
Rot. Bonds9

About N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine

N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine (PubChem CID 106722606) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine
PubChem CID106722606
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine
SMILESCCCS(=O)(=O)CCN(CCCN)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-4-9-16(14,15)10-8-13(11(2)3)7-5-6-12/h11H,4-10,12H2,1-3H3
InChIKeyWDVZYIBEOOUHBB-UHFFFAOYSA-N
XLogP0.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-propan-2-yl-N-(2-propylsulfonylethyl)propan-1-amine
CID 106730857
N-(2-chloroethyl)-N-(2-propylsulfonylethyl)propan-2-amine
CID 106730904
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
2-propylsulfonylethanamine;hydrochloride
CID 87608994
N'-(2-ethoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43457099
1-propylsulfonylpropane
CID 11709
3-butylsulfonylpropan-1-amine
CID 43615632
1-[3-aminopropyl(propan-2-yl)amino]propan-2-one
CID 89029623
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
propane-1,3-diamine;propane-1-sulfonic acid
CID 88791718
6-amino-1-propylsulfonylhexan-3-one
CID 106736174

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine?
The IUPAC name of N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine (CID 106722606) is N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine.
What is the SMILES notation for N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine?
The canonical SMILES for N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine is CCCS(=O)(=O)CCN(CCCN)C(C)C.
What is the InChIKey of N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine?
The InChIKey is WDVZYIBEOOUHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-4-9-16(14,15)10-8-13(11(2)3)7-5-6-12/h11H,4-10,12H2,1-3H3.
What are the key properties of N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine?
N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N'-(2-propylsulfonylethyl)propane-1,3-diamine is sourced from PubChem (CID 106722606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).