N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate

C5H12N4O5PS- — CID 20594537

IUPACN-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate
SMILESCNC1CCN(P(N)(=O)NS(=O)(=O)[O-])C1=O
InChIInChI=1S/C5H13N4O5PS/c1-7-4-2-3-9(5(4)10)15(6,11)8-16(12,13)14/h4,7H,2-3H2,1H3,(H3,6,8,11)(H,12,13,14)/p-1
InChIKeyOSFCGXKFIDTMLZ-UHFFFAOYSA-M
MW271.22 g/mol
LogP-2.08
Rot. Bonds4

About N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate

N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate (PubChem CID 20594537) has the molecular formula C5H12N4O5PS- and a molecular weight of 271.22 g/mol. Its IUPAC name is N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate.

Molecular Properties

Compound NameN-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate
PubChem CID20594537
Molecular FormulaC5H12N4O5PS-
Molecular Weight271.22 g/mol
Exact Mass271.03
IUPAC NameN-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate
SMILESCNC1CCN(P(N)(=O)NS(=O)(=O)[O-])C1=O
InChIInChI=1S/C5H13N4O5PS/c1-7-4-2-3-9(5(4)10)15(6,11)8-16(12,13)14/h4,7H,2-3H2,1H3,(H3,6,8,11)(H,12,13,14)/p-1
InChIKeyOSFCGXKFIDTMLZ-UHFFFAOYSA-M
XLogP-2.08
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

P-[(3S)-3-amino-2-oxopyrrolidin-1-yl]phosphonic diamide
CID 44580540
[amino-[(3S)-3-amino-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
CID 9838024
[amino-[(3S)-3-amino-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
CID 11334394
[Amino-(3-amino-2-oxopyrrolidin-1-yl)phosphoryl]sulfamic acid
CID 18517101
[Amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
CID 20594534
1-Diaminophosphoryl-3-(methylamino)pyrrolidin-2-one
CID 20594538
1-(1-Amino-1-oxopropan-2-yl)-2-oxo-3-(sulfinatoamino)pyrrolidine
CID 57426078
[1-[Amino-(sulfoamino)phosphoryl]-2-oxopyrrolidin-3-yl]azanide;yttrium
CID 57679126
[amino-[(3S)-3-amino-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
CID 87481526
[amino-[(3R)-3-amino-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
CID 87481656
[amino-[(3R)-3-amino-2-oxopyrrolidin-1-yl]phosphoryl]sulfamic acid
CID 87482702
(3R)-3-amino-1-diaminophosphorylpyrrolidin-2-one
CID 87757298

Frequently Asked Questions

What is the IUPAC name of N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate?
The IUPAC name of N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate (CID 20594537) is N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate.
What is the SMILES notation for N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate?
The canonical SMILES for N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate is CNC1CCN(P(N)(=O)NS(=O)(=O)[O-])C1=O.
What is the InChIKey of N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate?
The InChIKey is OSFCGXKFIDTMLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13N4O5PS/c1-7-4-2-3-9(5(4)10)15(6,11)8-16(12,13)14/h4,7H,2-3H2,1H3,(H3,6,8,11)(H,12,13,14)/p-1.
What are the key properties of N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate?
N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate has a molecular weight of 271.22 g/mol, XLogP of -2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[3-(methylamino)-2-oxopyrrolidin-1-yl]phosphoryl]sulfamate is sourced from PubChem (CID 20594537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).