N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide

C14H28N4O2S — CID 62062481

IUPACN-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)C(CC)(CC)CN)nc1C
InChIInChI=1S/C14H28N4O2S/c1-6-9-18-10-13(16-12(18)4)21(19,20)17(5)14(7-2,8-3)11-15/h10H,6-9,11,15H2,1-5H3
InChIKeyAOFRGQSRWKBMBI-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.74
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide (PubChem CID 62062481) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
PubChem CID62062481
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)C(CC)(CC)CN)nc1C
InChIInChI=1S/C14H28N4O2S/c1-6-9-18-10-13(16-12(18)4)21(19,20)17(5)14(7-2,8-3)11-15/h10H,6-9,11,15H2,1-5H3
InChIKeyAOFRGQSRWKBMBI-UHFFFAOYSA-N
XLogP1.74
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide (CID 62062481) is N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)C(CC)(CC)CN)nc1C.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
The InChIKey is AOFRGQSRWKBMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-6-9-18-10-13(16-12(18)4)21(19,20)17(5)14(7-2,8-3)11-15/h10H,6-9,11,15H2,1-5H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N,2-dimethyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 62062481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).