(2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium

C9H19NO2PS2+ — CID 57028285

IUPAC(2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium
SMILESNC(=O)C(C1CCCCCC1)[P+](O)(S)S
InChIInChI=1S/C9H18NO2PS2/c10-9(11)8(13(12,14)15)7-5-3-1-2-4-6-7/h7-8,12,14-15H,1-6H2,(H-,10,11)/p+1
InChIKeyZOXWTBVPUWPFEF-UHFFFAOYSA-O
MW268.36 g/mol
LogP2.43
Rot. Bonds3

About (2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium

(2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium (PubChem CID 57028285) has the molecular formula C9H19NO2PS2+ and a molecular weight of 268.36 g/mol. Its IUPAC name is (2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium.

Molecular Properties

Compound Name(2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium
PubChem CID57028285
Molecular FormulaC9H19NO2PS2+
Molecular Weight268.36 g/mol
Exact Mass268.06
IUPAC Name(2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium
SMILESNC(=O)C(C1CCCCCC1)[P+](O)(S)S
InChIInChI=1S/C9H18NO2PS2/c10-9(11)8(13(12,14)15)7-5-3-1-2-4-6-7/h7-8,12,14-15H,1-6H2,(H-,10,11)/p+1
InChIKeyZOXWTBVPUWPFEF-UHFFFAOYSA-O
XLogP2.43
TPSA63.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-cyclobutyl-2-hydroxyacetamide
CID 69459333
lithium;2-cyclohexylpropanamide;hydride
CID 173193796
2-cyclohexyl-2-(cyclopropylamino)acetamide
CID 60795809
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
2-cyclopentyl-2-(dimethylamino)acetamide
CID 116914808
2-amino-N-cyclohexyl-2-sulfanylacetamide
CID 87171089
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
N-[cyclohexyl(hydroxy)methyl]prop-2-enamide
CID 57207011
2-amino-3-cyclopentyl-3-sulfanylpropanoic acid
CID 23653013
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
1-cyclohexylethanethiol acetate
CID 22215872
2-cyclohexyl-2-hydroxyacetyl chloride
CID 87847920

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium?
The IUPAC name of (2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium (CID 57028285) is (2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium.
What is the SMILES notation for (2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium?
The canonical SMILES for (2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium is NC(=O)C(C1CCCCCC1)[P+](O)(S)S.
What is the InChIKey of (2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium?
The InChIKey is ZOXWTBVPUWPFEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18NO2PS2/c10-9(11)8(13(12,14)15)7-5-3-1-2-4-6-7/h7-8,12,14-15H,1-6H2,(H-,10,11)/p+1.
What are the key properties of (2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium?
(2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium has a molecular weight of 268.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-cycloheptyl-2-oxoethyl)-hydroxy-bis(sulfanyl)phosphanium is sourced from PubChem (CID 57028285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).