propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate

C12H27N3O4S — CID 114465106

IUPACpropan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C12H27N3O4S/c1-6-7-15(9-12(4,5)8-13)20(17,18)14-11(16)19-10(2)3/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyLGGLKZIPWCGVPV-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.06
Rot. Bonds8

About propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate

propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate (PubChem CID 114465106) has the molecular formula C12H27N3O4S and a molecular weight of 309.43 g/mol. Its IUPAC name is propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate
PubChem CID114465106
Molecular FormulaC12H27N3O4S
Molecular Weight309.43 g/mol
Exact Mass309.17
IUPAC Namepropan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C12H27N3O4S/c1-6-7-15(9-12(4,5)8-13)20(17,18)14-11(16)19-10(2)3/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyLGGLKZIPWCGVPV-UHFFFAOYSA-N
XLogP1.06
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]propanoic acid
CID 79668616
propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate
CID 107493090
propan-2-yl N-[piperidin-4-ylmethyl(propyl)sulfamoyl]carbamate
CID 114465117
2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462664
3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
CID 114464359
propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate
CID 114467490
propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464122
propan-2-yl N-[(2-aminophenyl)-propylsulfamoyl]carbamate
CID 114461730
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
propan-2-yl N-[piperidin-4-yl(propyl)sulfamoyl]carbamate
CID 114464658
propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
CID 114461386

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate (CID 114465106) is propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate is CCCN(CC(C)(C)CN)S(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate?
The InChIKey is LGGLKZIPWCGVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O4S/c1-6-7-15(9-12(4,5)8-13)20(17,18)14-11(16)19-10(2)3/h10H,6-9,13H2,1-5H3,(H,14,16).
What are the key properties of propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate?
propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate has a molecular weight of 309.43 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate is sourced from PubChem (CID 114465106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).