N'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride

C9H18ClN5O2S — CID 18965221

IUPACN'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride
SMILESCl.NC(=N\C1CC1)/N=C(\N)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H17N5O2S.ClH/c10-8(12-7-1-2-7)13-9(11)14-3-5-17(15,16)6-4-14;/h7H,1-6H2,(H4,10,11,12,13);1H
InChIKeyHNTMZWKSPOWIPF-UHFFFAOYSA-N
MW295.80 g/mol
LogP-1.07
Rot. Bonds1

About N'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride

N'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride (PubChem CID 18965221) has the molecular formula C9H18ClN5O2S and a molecular weight of 295.80 g/mol. Its IUPAC name is N'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride
PubChem CID18965221
Molecular FormulaC9H18ClN5O2S
Molecular Weight295.80 g/mol
Exact Mass295.09
IUPAC NameN'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride
SMILESCl.NC(=N\C1CC1)/N=C(\N)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H17N5O2S.ClH/c10-8(12-7-1-2-7)13-9(11)14-3-5-17(15,16)6-4-14;/h7H,1-6H2,(H4,10,11,12,13);1H
InChIKeyHNTMZWKSPOWIPF-UHFFFAOYSA-N
XLogP-1.07
TPSA114.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride?
The IUPAC name of N'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride (CID 18965221) is N'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride?
The canonical SMILES for N'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride is Cl.NC(=N\C1CC1)/N=C(\N)N1CCS(=O)(=O)CC1.
What is the InChIKey of N'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride?
The InChIKey is HNTMZWKSPOWIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S.ClH/c10-8(12-7-1-2-7)13-9(11)14-3-5-17(15,16)6-4-14;/h7H,1-6H2,(H4,10,11,12,13);1H.
What are the key properties of N'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride?
N'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride has a molecular weight of 295.80 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-cyclopropylcarbamimidoyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydrochloride is sourced from PubChem (CID 18965221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).