N-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide

C10H20N4OS — CID 104884674

IUPACN-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide
SMILESNN/C(=N\C1CCCC1)N1CCS(=O)CC1
InChIInChI=1S/C10H20N4OS/c11-13-10(12-9-3-1-2-4-9)14-5-7-16(15)8-6-14/h9H,1-8,11H2,(H,12,13)
InChIKeyBPICQLGEOCWBNU-UHFFFAOYSA-N
MW244.36 g/mol
LogP-0.19
Rot. Bonds1

About N-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide

N-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide (PubChem CID 104884674) has the molecular formula C10H20N4OS and a molecular weight of 244.36 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide
PubChem CID104884674
Molecular FormulaC10H20N4OS
Molecular Weight244.36 g/mol
Exact Mass244.14
IUPAC NameN-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide
SMILESNN/C(=N\C1CCCC1)N1CCS(=O)CC1
InChIInChI=1S/C10H20N4OS/c11-13-10(12-9-3-1-2-4-9)14-5-7-16(15)8-6-14/h9H,1-8,11H2,(H,12,13)
InChIKeyBPICQLGEOCWBNU-UHFFFAOYSA-N
XLogP-0.19
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 5-0.19
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-1-oxo-1,4-thiazinane-4-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide (CID 104884674) is N-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide is NN/C(=N\C1CCCC1)N1CCS(=O)CC1.
What is the InChIKey of N-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide?
The InChIKey is BPICQLGEOCWBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS/c11-13-10(12-9-3-1-2-4-9)14-5-7-16(15)8-6-14/h9H,1-8,11H2,(H,12,13).
What are the key properties of N-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide?
N-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide has a molecular weight of 244.36 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-1-oxo-1,4-thiazinane-4-carboximidamide is sourced from PubChem (CID 104884674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).