propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate

C9H20N4O4S — CID 114467537

IUPACpropan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate
SMILES[H]/N=C(\N)CN(C(C)C)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C9H20N4O4S/c1-6(2)13(5-8(10)11)18(15,16)12-9(14)17-7(3)4/h6-7H,5H2,1-4H3,(H3,10,11)(H,12,14)
InChIKeyDRUPWQRLQUFQJL-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.01
Rot. Bonds6

About propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate

propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate (PubChem CID 114467537) has the molecular formula C9H20N4O4S and a molecular weight of 280.35 g/mol. Its IUPAC name is propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate
PubChem CID114467537
Molecular FormulaC9H20N4O4S
Molecular Weight280.35 g/mol
Exact Mass280.12
IUPAC Namepropan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate
SMILES[H]/N=C(\N)CN(C(C)C)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C9H20N4O4S/c1-6(2)13(5-8(10)11)18(15,16)12-9(14)17-7(3)4/h6-7H,5H2,1-4H3,(H3,10,11)(H,12,14)
InChIKeyDRUPWQRLQUFQJL-UHFFFAOYSA-N
XLogP0.01
TPSA125.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate
CID 114467490
2-[ethylsulfamoyl(propan-2-yl)amino]ethanimidamide
CID 114813558
2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462664
3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
methyl N-[(2-amino-2-sulfanylideneethyl)-propan-2-ylsulfamoyl]carbamate
CID 114463668
propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate
CID 114466588
propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
CID 114464359
propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464122
propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
CID 114466545
propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate
CID 114463139
propan-2-yl N-[cyclobutyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 102867663
propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate
CID 114463424

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate (CID 114467537) is propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate is [H]/N=C(\N)CN(C(C)C)S(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate?
The InChIKey is DRUPWQRLQUFQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O4S/c1-6(2)13(5-8(10)11)18(15,16)12-9(14)17-7(3)4/h6-7H,5H2,1-4H3,(H3,10,11)(H,12,14).
What are the key properties of propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate?
propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate has a molecular weight of 280.35 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate is sourced from PubChem (CID 114467537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).