N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide

C11H21N3S — CID 81451294

IUPACN-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide
SMILESCC1(/C(=N/C2CCCC2)NN)CCCS1
InChIInChI=1S/C11H21N3S/c1-11(7-4-8-15-11)10(14-12)13-9-5-2-3-6-9/h9H,2-8,12H2,1H3,(H,13,14)
InChIKeyBRLRSYUCJLPWTK-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.08
Rot. Bonds2

About N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide

N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide (PubChem CID 81451294) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide
PubChem CID81451294
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide
SMILESCC1(/C(=N/C2CCCC2)NN)CCCS1
InChIInChI=1S/C11H21N3S/c1-11(7-4-8-15-11)10(14-12)13-9-5-2-3-6-9/h9H,2-8,12H2,1H3,(H,13,14)
InChIKeyBRLRSYUCJLPWTK-UHFFFAOYSA-N
XLogP2.08
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide (CID 81451294) is N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide is CC1(/C(=N/C2CCCC2)NN)CCCS1.
What is the InChIKey of N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide?
The InChIKey is BRLRSYUCJLPWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-11(7-4-8-15-11)10(14-12)13-9-5-2-3-6-9/h9H,2-8,12H2,1H3,(H,13,14).
What are the key properties of N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide?
N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide has a molecular weight of 227.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-2-methylthiolane-2-carboximidamide is sourced from PubChem (CID 81451294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).