N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide

C14H28N4O2S — CID 102995745

IUPACN-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(CC)CCCN(CC)CC)[nH]1
InChIInChI=1S/C14H28N4O2S/c1-5-13-15-12-14(16-13)21(19,20)18(8-4)11-9-10-17(6-2)7-3/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyKSERZAJRJYFZEW-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.71
Rot. Bonds10

About N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide

N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide (PubChem CID 102995745) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide
PubChem CID102995745
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC NameN-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)N(CC)CCCN(CC)CC)[nH]1
InChIInChI=1S/C14H28N4O2S/c1-5-13-15-12-14(16-13)21(19,20)18(8-4)11-9-10-17(6-2)7-3/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyKSERZAJRJYFZEW-UHFFFAOYSA-N
XLogP1.71
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-2-ethyl-N-propyl-1H-imidazole-5-sulfonamide
CID 80672178
N,2-diethyl-N-(2-methylbutyl)-1H-imidazole-5-sulfonamide
CID 79470009
N-[3-(diethylamino)propyl]-N-ethyl-1H-imidazole-5-sulfonamide
CID 102995748
N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102995753
2-ethyl-N-methyl-N-(2-methylsulfanylethyl)-1H-imidazole-5-sulfonamide
CID 112663218
N-(2-bromopropyl)-2-ethyl-N-methyl-1H-imidazole-5-sulfonamide
CID 80666785
N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102992728
2-ethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106608449
2-ethyl-N-(2-hydroxycyclohexyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 102633958
2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide
CID 114951122
2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid
CID 146090786
2-ethyl-N-methyl-N-[4-(methylamino)cyclohexyl]-1H-imidazole-5-sulfonamide
CID 79122800

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide (CID 102995745) is N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)N(CC)CCCN(CC)CC)[nH]1.
What is the InChIKey of N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide?
The InChIKey is KSERZAJRJYFZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-5-13-15-12-14(16-13)21(19,20)18(8-4)11-9-10-17(6-2)7-3/h12H,5-11H2,1-4H3,(H,15,16).
What are the key properties of N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide?
N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 1.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N,2-diethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 102995745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).