1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine

C11H24N4O2S — CID 111868210

IUPAC1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
SMILESCCS(=O)(=O)NCCCN/C(=N\C)NCC1CC1
InChIInChI=1S/C11H24N4O2S/c1-3-18(16,17)15-8-4-7-13-11(12-2)14-9-10-5-6-10/h10,15H,3-9H2,1-2H3,(H2,12,13,14)
InChIKeyANMNGYTXVGAZMC-UHFFFAOYSA-N
MW276.41 g/mol
LogP-0.11
Rot. Bonds8

About 1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine

1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine (PubChem CID 111868210) has the molecular formula C11H24N4O2S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
PubChem CID111868210
Molecular FormulaC11H24N4O2S
Molecular Weight276.41 g/mol
Exact Mass276.16
IUPAC Name1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
SMILESCCS(=O)(=O)NCCCN/C(=N\C)NCC1CC1
InChIInChI=1S/C11H24N4O2S/c1-3-18(16,17)15-8-4-7-13-11(12-2)14-9-10-5-6-10/h10,15H,3-9H2,1-2H3,(H2,12,13,14)
InChIKeyANMNGYTXVGAZMC-UHFFFAOYSA-N
XLogP-0.11
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 5-0.11
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'}

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Related Compounds

1-[3-(cyclopropylmethoxy)propyl]-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 111392351
1-[3-(ethylsulfonylamino)propyl]-2-methyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111641989
1-tert-butyl-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 110965748
1-(2-ethoxyethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine;hydroiodide
CID 111895092
1-(cyclopropylmethyl)-2-methyl-3-(2-methylsulfonylethyl)guanidine
CID 111870010
1-(cyclopropylmethyl)-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111869129
2-(cyclopropylmethylamino)-N-[3-(ethylsulfonylamino)propyl]acetamide
CID 119763131
2-(cyclopropylmethyl)-1-ethyl-3-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide
CID 111869847
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 111567843
1-(3-ethoxypropyl)-3-[(4-ethylcyclohexyl)methyl]-2-methylguanidine
CID 111222757
methyl 5-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]pentanoate
CID 111869686
1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine
CID 131101788

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine?
The IUPAC name of 1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine (CID 111868210) is 1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine is CCS(=O)(=O)NCCCN/C(=N\C)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine?
The InChIKey is ANMNGYTXVGAZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2S/c1-3-18(16,17)15-8-4-7-13-11(12-2)14-9-10-5-6-10/h10,15H,3-9H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine?
1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine has a molecular weight of 276.41 g/mol, XLogP of -0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine is sourced from PubChem (CID 111868210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).