propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate

C10H21N3O4S — CID 114761689

IUPACpropan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC1(C)CCCN1
InChIInChI=1S/C10H21N3O4S/c1-8(2)17-9(14)13-18(15,16)12-7-10(3)5-4-6-11-10/h8,11-12H,4-7H2,1-3H3,(H,13,14)
InChIKeyCGAZNGWAUBBKCR-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.10
Rot. Bonds5

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

propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate (PubChem CID 114761689) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate
PubChem CID114761689
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Namepropan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC1(C)CCCN1
InChIInChI=1S/C10H21N3O4S/c1-8(2)17-9(14)13-18(15,16)12-7-10(3)5-4-6-11-10/h8,11-12H,4-7H2,1-3H3,(H,13,14)
InChIKeyCGAZNGWAUBBKCR-UHFFFAOYSA-N
XLogP0.10
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]propan-2-amine
CID 114805140
propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241
propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
CID 114464611
propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466827
propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate
CID 114464254
propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate
CID 114461831
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894
N-[(2-methylpyrrolidin-2-yl)methyl]propanamide
CID 114761754
propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate
CID 114463267
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
1-(3-methylbutan-2-yl)-3-[(2-methylpyrrolidin-2-yl)methyl]urea
CID 165463454

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate (CID 114761689) is propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NCC1(C)CCCN1.
What is the InChIKey of propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate?
The InChIKey is CGAZNGWAUBBKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-8(2)17-9(14)13-18(15,16)12-7-10(3)5-4-6-11-10/h8,11-12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate?
propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate has a molecular weight of 279.36 g/mol, XLogP of 0.10, 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-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate is sourced from PubChem (CID 114761689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).