N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine

C16H28N4O2S — CID 4788794

IUPACN,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C16H28N4O2S/c1-16(2,13-19(3)4)12-18-15-8-7-14(11-17-15)23(21,22)20-9-5-6-10-20/h7-8,11H,5-6,9-10,12-13H2,1-4H3,(H,17,18)
InChIKeyMVFMOPJPCAIWSF-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.87
Rot. Bonds7

About N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine

N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine (PubChem CID 4788794) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine
PubChem CID4788794
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC NameN,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C16H28N4O2S/c1-16(2,13-19(3)4)12-18-15-8-7-14(11-17-15)23(21,22)20-9-5-6-10-20/h7-8,11H,5-6,9-10,12-13H2,1-4H3,(H,17,18)
InChIKeyMVFMOPJPCAIWSF-UHFFFAOYSA-N
XLogP1.87
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine (CID 4788794) is N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine is CN(C)CC(C)(C)CNc1ccc(S(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine?
The InChIKey is MVFMOPJPCAIWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-16(2,13-19(3)4)12-18-15-8-7-14(11-17-15)23(21,22)20-9-5-6-10-20/h7-8,11H,5-6,9-10,12-13H2,1-4H3,(H,17,18).
What are the key properties of N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine has a molecular weight of 340.49 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 4788794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).