N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine

C16H28N2O2S — CID 43453436

IUPACN,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine
SMILESCCCS(=O)(=O)c1ccc(NCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-6-11-21(19,20)15-9-7-14(8-10-15)17-12-16(2,3)13-18(4)5/h7-10,17H,6,11-13H2,1-5H3
InChIKeyJDRZAEIDBOAVCR-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.87
Rot. Bonds8

About N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine

N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine (PubChem CID 43453436) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine
PubChem CID43453436
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine
SMILESCCCS(=O)(=O)c1ccc(NCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-6-11-21(19,20)15-9-7-14(8-10-15)17-12-16(2,3)13-18(4)5/h7-10,17H,6,11-13H2,1-5H3
InChIKeyJDRZAEIDBOAVCR-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine (CID 43453436) is N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine is CCCS(=O)(=O)c1ccc(NCC(C)(C)CN(C)C)cc1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine?
The InChIKey is JDRZAEIDBOAVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-11-21(19,20)15-9-7-14(8-10-15)17-12-16(2,3)13-18(4)5/h7-10,17H,6,11-13H2,1-5H3.
What are the key properties of N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine has a molecular weight of 312.48 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine is sourced from PubChem (CID 43453436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).