1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine

C15H29N5O2S2 — CID 119155057

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
SMILESC/N=C(\NCCS(=O)(=O)N1CCSCC1)NC1CCN(C2CC2)C1
InChIInChI=1S/C15H29N5O2S2/c1-16-15(18-13-4-6-19(12-13)14-2-3-14)17-5-11-24(21,22)20-7-9-23-10-8-20/h13-14H,2-12H2,1H3,(H2,16,17,18)
InChIKeySKYVROOIPDHGHY-UHFFFAOYSA-N
MW375.56 g/mol
LogP-0.23
Rot. Bonds6

About 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine

1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine (PubChem CID 119155057) has the molecular formula C15H29N5O2S2 and a molecular weight of 375.56 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
PubChem CID119155057
Molecular FormulaC15H29N5O2S2
Molecular Weight375.56 g/mol
Exact Mass375.18
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
SMILESC/N=C(\NCCS(=O)(=O)N1CCSCC1)NC1CCN(C2CC2)C1
InChIInChI=1S/C15H29N5O2S2/c1-16-15(18-13-4-6-19(12-13)14-2-3-14)17-5-11-24(21,22)20-7-9-23-10-8-20/h13-14H,2-12H2,1H3,(H2,16,17,18)
InChIKeySKYVROOIPDHGHY-UHFFFAOYSA-N
XLogP-0.23
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(6-oxopiperidin-3-yl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 119155071
1-(cyclobutylmethyl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 119155535
1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
CID 111989885
2-methyl-1-(oxan-4-ylmethyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 119155543
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(thian-4-ylmethyl)guanidine;hydroiodide
CID 119158534
N-[2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111919867
1-(1-cyclopropylpiperidin-4-yl)-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
CID 111989884
2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 111833647
1-[2-(benzenesulfonamido)ethyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918333
1-(1-cyclopentylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine
CID 119153800
2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111833136
1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine;hydroiodide
CID 119154337

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine (CID 119155057) is 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine is C/N=C(\NCCS(=O)(=O)N1CCSCC1)NC1CCN(C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine?
The InChIKey is SKYVROOIPDHGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O2S2/c1-16-15(18-13-4-6-19(12-13)14-2-3-14)17-5-11-24(21,22)20-7-9-23-10-8-20/h13-14H,2-12H2,1H3,(H2,16,17,18).
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine?
1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine has a molecular weight of 375.56 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-2-methyl-3-(2-thiomorpholin-4-ylsulfonylethyl)guanidine is sourced from PubChem (CID 119155057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).