N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide

C12H22N4O2S — CID 106343460

IUPACN,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
SMILESCCCNc1cccc(NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C12H22N4O2S/c1-4-8-13-11-6-5-7-12(15-11)14-9-10-19(17,18)16(2)3/h5-7H,4,8-10H2,1-3H3,(H2,13,14,15)
InChIKeyYIRSIJMFCGZYGY-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.21
Rot. Bonds8

About N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide

N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide (PubChem CID 106343460) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
PubChem CID106343460
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
SMILESCCCNc1cccc(NCCS(=O)(=O)N(C)C)n1
InChIInChI=1S/C12H22N4O2S/c1-4-8-13-11-6-5-7-12(15-11)14-9-10-19(17,18)16(2)3/h5-7H,4,8-10H2,1-3H3,(H2,13,14,15)
InChIKeyYIRSIJMFCGZYGY-UHFFFAOYSA-N
XLogP1.21
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80787480
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343596
2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341655
N,N-dimethyl-2-[(4-methyl-2-pyridinyl)amino]ethanesulfonamide
CID 106338668
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
CID 80778103
N-propyl-3-[[6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819033
2-N,6-N-dipentylpyridine-2,6-diamine
CID 66709787
6-N-[(4-ethylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106900926
6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 80807099
2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate
CID 83214804
N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 114176091

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide (CID 106343460) is N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide is CCCNc1cccc(NCCS(=O)(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide?
The InChIKey is YIRSIJMFCGZYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-8-13-11-6-5-7-12(15-11)14-9-10-19(17,18)16(2)3/h5-7H,4,8-10H2,1-3H3,(H2,13,14,15).
What are the key properties of N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide?
N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide is sourced from PubChem (CID 106343460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).