1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide

C16H37IN4O2S — CID 111385956

IUPAC1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide
SMILESCCCCCCCCCN/C(=N/CCCNS(C)(=O)=O)NCC.I
InChIInChI=1S/C16H36N4O2S.HI/c1-4-6-7-8-9-10-11-13-18-16(17-5-2)19-14-12-15-20-23(3,21)22;/h20H,4-15H2,1-3H3,(H2,17,18,19);1H
InChIKeyUZSMWVNDPGPLKO-UHFFFAOYSA-N
MW476.47 g/mol
LogP2.85
Rot. Bonds14

About 1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide

1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide (PubChem CID 111385956) has the molecular formula C16H37IN4O2S and a molecular weight of 476.47 g/mol. Its IUPAC name is 1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide
PubChem CID111385956
Molecular FormulaC16H37IN4O2S
Molecular Weight476.47 g/mol
Exact Mass476.17
IUPAC Name1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide
SMILESCCCCCCCCCN/C(=N/CCCNS(C)(=O)=O)NCC.I
InChIInChI=1S/C16H36N4O2S.HI/c1-4-6-7-8-9-10-11-13-18-16(17-5-2)19-14-12-15-20-23(3,21)22;/h20H,4-15H2,1-3H3,(H2,17,18,19);1H
InChIKeyUZSMWVNDPGPLKO-UHFFFAOYSA-N
XLogP2.85
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-(3-methylsulfonylpropyl)-3-nonylguanidine;hydroiodide
CID 111385972
2-(3-butoxypropyl)-1-ethyl-3-[3-(methanesulfonamido)propyl]guanidine
CID 111239425
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-(2-methylsulfanylethyl)guanidine
CID 111343741
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110974594
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-prop-2-ynylguanidine
CID 136922175
1-ethyl-3-[2-(methanesulfonamido)ethyl]-2-(7-methyloctyl)guanidine;hydroiodide
CID 111204921
1,2,3-trihexylguanidine
CID 173050322
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111179938
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[3-(methanesulfonamido)propyl]guanidine;hydroiodide
CID 111390694
1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
CID 110944266
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111372486
2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide
CID 111161864

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide (CID 111385956) is 1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide is CCCCCCCCCN/C(=N/CCCNS(C)(=O)=O)NCC.I.
What is the InChIKey of 1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide?
The InChIKey is UZSMWVNDPGPLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4O2S.HI/c1-4-6-7-8-9-10-11-13-18-16(17-5-2)19-14-12-15-20-23(3,21)22;/h20H,4-15H2,1-3H3,(H2,17,18,19);1H.
What are the key properties of 1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide?
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide has a molecular weight of 476.47 g/mol, XLogP of 2.85, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(methanesulfonamido)propyl]-3-nonylguanidine;hydroiodide is sourced from PubChem (CID 111385956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).