(1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate

C11H22N2PSSe- — CID 139176810

IUPAC(1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate
SMILESCC(C)P(=S)(/N=C(\[Se-])N1CCCC1)C(C)C
InChIInChI=1S/C11H23N2PSSe/c1-9(2)14(15,10(3)4)12-11(16)13-7-5-6-8-13/h9-10H,5-8H2,1-4H3,(H,12,15,16)/p-1
InChIKeyUIPMYIVGESPAAY-UHFFFAOYSA-M
MW324.31 g/mol
LogP2.82
Rot. Bonds3

About (1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate

(1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate (PubChem CID 139176810) has the molecular formula C11H22N2PSSe- and a molecular weight of 324.31 g/mol. Its IUPAC name is (1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate.

Molecular Properties

Compound Name(1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate
PubChem CID139176810
Molecular FormulaC11H22N2PSSe-
Molecular Weight324.31 g/mol
Exact Mass325.04
IUPAC Name(1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate
SMILESCC(C)P(=S)(/N=C(\[Se-])N1CCCC1)C(C)C
InChIInChI=1S/C11H23N2PSSe/c1-9(2)14(15,10(3)4)12-11(16)13-7-5-6-8-13/h9-10H,5-8H2,1-4H3,(H,12,15,16)/p-1
InChIKeyUIPMYIVGESPAAY-UHFFFAOYSA-M
XLogP2.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride
CID 56846378
(2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride
CID 53482072
propan-2-yl-(tripyrrolidin-1-yl-λ5-phosphanylidene)azanium
CID 140866562
1-(3-methylbut-2-en-2-yl)pyrrolidine
CID 15569618
(2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate
CID 54534982
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
(2S)-2-amino-3-methyl-1-pyrrolidin-1-ylbutane-1-thione;hydrochloride
CID 56845381
(dipyrrolidin-1-ylmethylideneamino)-methylphosphinate
CID 161114274
piperidine-1-carboselenoate
CID 137316024
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate?
The IUPAC name of (1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate (CID 139176810) is (1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate.
What is the SMILES notation for (1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate?
The canonical SMILES for (1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate is CC(C)P(=S)(/N=C(\[Se-])N1CCCC1)C(C)C.
What is the InChIKey of (1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate?
The InChIKey is UIPMYIVGESPAAY-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H23N2PSSe/c1-9(2)14(15,10(3)4)12-11(16)13-7-5-6-8-13/h9-10H,5-8H2,1-4H3,(H,12,15,16)/p-1.
What are the key properties of (1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate?
(1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate has a molecular weight of 324.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-di(propan-2-yl)phosphinothioylpyrrolidine-1-carboximidoselenoate is sourced from PubChem (CID 139176810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).