propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate

C11H24N4O4S — CID 114467490

IUPACpropan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate
SMILES[H]/N=C(\N)CCN(CC(C)C)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C11H24N4O4S/c1-8(2)7-15(6-5-10(12)13)20(17,18)14-11(16)19-9(3)4/h8-9H,5-7H2,1-4H3,(H3,12,13)(H,14,16)
InChIKeyQVYJAAZJCLLGMM-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.65
Rot. Bonds8

About propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate

propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate (PubChem CID 114467490) has the molecular formula C11H24N4O4S and a molecular weight of 308.40 g/mol. Its IUPAC name is propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate
PubChem CID114467490
Molecular FormulaC11H24N4O4S
Molecular Weight308.40 g/mol
Exact Mass308.15
IUPAC Namepropan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate
SMILES[H]/N=C(\N)CCN(CC(C)C)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C11H24N4O4S/c1-8(2)7-15(6-5-10(12)13)20(17,18)14-11(16)19-9(3)4/h8-9H,5-7H2,1-4H3,(H3,12,13)(H,14,16)
InChIKeyQVYJAAZJCLLGMM-UHFFFAOYSA-N
XLogP0.65
TPSA125.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.65
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-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate
CID 114467537
3-[2-methylpropyl(2-propan-2-yloxyethylsulfonyl)amino]propanimidamide
CID 79600343
2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462664
3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
methyl N-[(3-amino-3-iminopropyl)-(pyridin-3-ylmethyl)sulfamoyl]carbamate
CID 114467482
propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate
CID 114465106
propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate
CID 107493090
propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464122
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
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-[cyclopentyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 114464161

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate (CID 114467490) is propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate is [H]/N=C(\N)CCN(CC(C)C)S(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate?
The InChIKey is QVYJAAZJCLLGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O4S/c1-8(2)7-15(6-5-10(12)13)20(17,18)14-11(16)19-9(3)4/h8-9H,5-7H2,1-4H3,(H3,12,13)(H,14,16).
What are the key properties of propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate?
propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate has a molecular weight of 308.40 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate is sourced from PubChem (CID 114467490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).