1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine

C12H28N2O2S — CID 106723563

IUPAC1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine
SMILESCCN(CC)CC(C)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C12H28N2O2S/c1-6-14(7-2)10-12(5)13-8-9-17(15,16)11(3)4/h11-13H,6-10H2,1-5H3
InChIKeyNCXKUUTXSPRPFF-UHFFFAOYSA-N
MW264.43 g/mol
LogP1.13
Rot. Bonds9

About 1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine

1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine (PubChem CID 106723563) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine
PubChem CID106723563
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC Name1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine
SMILESCCN(CC)CC(C)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C12H28N2O2S/c1-6-14(7-2)10-12(5)13-8-9-17(15,16)11(3)4/h11-13H,6-10H2,1-5H3
InChIKeyNCXKUUTXSPRPFF-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfanyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
CID 106724509
N-[1-(diethylamino)propan-2-yl]propane-2-sulfonamide
CID 64584579
N-(2-propan-2-ylsulfonylethyl)pent-4-en-2-amine
CID 106724402
3-ethyl-N-(2-propan-2-ylsulfonylethyl)pentan-2-amine
CID 104578148
N-[1-(diethylamino)propan-2-yl]sulfamoyl chloride
CID 114958265
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
2-N-(3-ethoxypropyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 65175830
(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid
CID 106727678
N-[1-(diethylamino)propan-2-yl]methanesulfonamide;ethene
CID 91510030
3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol
CID 114493012
1-N,1-N-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propane-1,2-diamine
CID 104562116
(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol
CID 106932045

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine (CID 106723563) is 1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine is CCN(CC)CC(C)NCCS(=O)(=O)C(C)C.
What is the InChIKey of 1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine?
The InChIKey is NCXKUUTXSPRPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-6-14(7-2)10-12(5)13-8-9-17(15,16)11(3)4/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine?
1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine has a molecular weight of 264.43 g/mol, XLogP of 1.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-(2-propan-2-ylsulfonylethyl)propane-1,2-diamine is sourced from PubChem (CID 106723563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).