1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine

C10H22N4O2S — CID 104886695

IUPAC1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine
SMILESCC(CS(C)(=O)=O)N/C(=N/C1CCCC1)NN
InChIInChI=1S/C10H22N4O2S/c1-8(7-17(2,15)16)12-10(14-11)13-9-5-3-4-6-9/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyAXGUVQVXSIDCHC-UHFFFAOYSA-N
MW262.38 g/mol
LogP-0.23
Rot. Bonds4

About 1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine

1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine (PubChem CID 104886695) has the molecular formula C10H22N4O2S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine
PubChem CID104886695
Molecular FormulaC10H22N4O2S
Molecular Weight262.38 g/mol
Exact Mass262.15
IUPAC Name1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine
SMILESCC(CS(C)(=O)=O)N/C(=N/C1CCCC1)NN
InChIInChI=1S/C10H22N4O2S/c1-8(7-17(2,15)16)12-10(14-11)13-9-5-3-4-6-9/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14)
InChIKeyAXGUVQVXSIDCHC-UHFFFAOYSA-N
XLogP-0.23
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-ethyl-3-(1-methylsulfonylpropan-2-yl)guanidine
CID 104886692
1-amino-2-cyclopropyl-3-(5-methylhexan-2-yl)guanidine
CID 104886508
1-amino-2-cyclohexyl-3-(1-phenylpropan-2-yl)guanidine
CID 116515036
1-amino-2-cyclohexyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)guanidine
CID 104888216
1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine
CID 104889083
1-amino-2-cyclopropyl-3-(4-ethylsulfanylbutan-2-yl)guanidine
CID 104889027
1-amino-3-(1-methoxypropan-2-yl)-2-(oxan-4-yl)guanidine
CID 104884067
1-(1-aminopropan-2-yl)-2,3-dicyclohexylguanidine
CID 122691193
1-amino-2-(3-ethylcyclohexyl)-3-(1-methoxypropan-2-yl)guanidine
CID 104886807
2-amino-2-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64643013
1-amino-2-cyclopropyl-3-(1-pyrazol-1-ylpropan-2-yl)guanidine
CID 116514874
1-amino-2-cyclohexyl-3-(1-phenylpropyl)guanidine
CID 116513637

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine (CID 104886695) is 1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine is CC(CS(C)(=O)=O)N/C(=N/C1CCCC1)NN.
What is the InChIKey of 1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine?
The InChIKey is AXGUVQVXSIDCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2S/c1-8(7-17(2,15)16)12-10(14-11)13-9-5-3-4-6-9/h8-9H,3-7,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine?
1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine has a molecular weight of 262.38 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopentyl-3-(1-methylsulfonylpropan-2-yl)guanidine is sourced from PubChem (CID 104886695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).