1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine

C15H24N4O2S2 — CID 120973103

IUPAC1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine
SMILESN/C(=N\CC1CCN(S(=O)(=O)c2cccs2)C1)NCC1CCC1
InChIInChI=1S/C15H24N4O2S2/c16-15(17-9-12-3-1-4-12)18-10-13-6-7-19(11-13)23(20,21)14-5-2-8-22-14/h2,5,8,12-13H,1,3-4,6-7,9-11H2,(H3,16,17,18)
InChIKeyKDDHCWGJTSAZFH-UHFFFAOYSA-N
MW356.52 g/mol
LogP1.46
Rot. Bonds6

About 1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine

1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 120973103) has the molecular formula C15H24N4O2S2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine
PubChem CID120973103
Molecular FormulaC15H24N4O2S2
Molecular Weight356.52 g/mol
Exact Mass356.13
IUPAC Name1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine
SMILESN/C(=N\CC1CCN(S(=O)(=O)c2cccs2)C1)NCC1CCC1
InChIInChI=1S/C15H24N4O2S2/c16-15(17-9-12-3-1-4-12)18-10-13-6-7-19(11-13)23(20,21)14-5-2-8-22-14/h2,5,8,12-13H,1,3-4,6-7,9-11H2,(H3,16,17,18)
InChIKeyKDDHCWGJTSAZFH-UHFFFAOYSA-N
XLogP1.46
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methylprop-2-enyl)-1-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine
CID 120973075
1-tert-butyl-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 120973090
2-(cyclobutylmethyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 111090199
1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111065756
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210607
3-(phenoxymethyl)-1-thiophen-2-ylsulfonylpiperidine
CID 110410428
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
3-[(4-methylphenoxy)methyl]-1-thiophen-2-ylsulfonylpiperidine
CID 110638586
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111802070
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111802069
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine (CID 120973103) is 1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine is N/C(=N\CC1CCN(S(=O)(=O)c2cccs2)C1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is KDDHCWGJTSAZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S2/c16-15(17-9-12-3-1-4-12)18-10-13-6-7-19(11-13)23(20,21)14-5-2-8-22-14/h2,5,8,12-13H,1,3-4,6-7,9-11H2,(H3,16,17,18).
What are the key properties of 1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine?
1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 356.52 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 120973103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).