propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate

C12H25N3O4S — CID 114464611

IUPACpropan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C12H25N3O4S/c1-10(2)19-11(16)15-20(17,18)14-9-12(13)7-5-3-4-6-8-12/h10,14H,3-9,13H2,1-2H3,(H,15,16)
InChIKeyJCGIOQPLTCVYBG-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.01
Rot. Bonds5

About propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate

propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate (PubChem CID 114464611) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
PubChem CID114464611
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Namepropan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C12H25N3O4S/c1-10(2)19-11(16)15-20(17,18)14-9-12(13)7-5-3-4-6-8-12/h10,14H,3-9,13H2,1-2H3,(H,15,16)
InChIKeyJCGIOQPLTCVYBG-UHFFFAOYSA-N
XLogP1.01
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241
propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466827
propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate
CID 114761689
1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine
CID 114810378
propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate
CID 114464254
1-[(propan-2-ylsulfamoylamino)methyl]cyclobutan-1-amine
CID 103352856
propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate
CID 114463540
propan-2-yl N-[(1-methylcyclopentyl)methyl]carbamate
CID 116656090
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894
propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
CID 114461386
methyl 2-[(1-aminocyclobutyl)methylsulfamoyl]propanoate
CID 103352907
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate (CID 114464611) is propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NCC1(N)CCCCCC1.
What is the InChIKey of propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate?
The InChIKey is JCGIOQPLTCVYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-10(2)19-11(16)15-20(17,18)14-9-12(13)7-5-3-4-6-8-12/h10,14H,3-9,13H2,1-2H3,(H,15,16).
What are the key properties of propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate?
propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate has a molecular weight of 307.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate is sourced from PubChem (CID 114464611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).