propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate

C11H21N3O4S2 — CID 114463540

IUPACpropan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C11H21N3O4S2/c1-8(2)18-10(15)13-20(16,17)14-11(9(12)19)6-4-3-5-7-11/h8,14H,3-7H2,1-2H3,(H2,12,19)(H,13,15)
InChIKeyYBJSNCNIKZAFNM-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.94
Rot. Bonds5

About propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate

propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate (PubChem CID 114463540) has the molecular formula C11H21N3O4S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate
PubChem CID114463540
Molecular FormulaC11H21N3O4S2
Molecular Weight323.44 g/mol
Exact Mass323.10
IUPAC Namepropan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C11H21N3O4S2/c1-8(2)18-10(15)13-20(16,17)14-11(9(12)19)6-4-3-5-7-11/h8,14H,3-7H2,1-2H3,(H2,12,19)(H,13,15)
InChIKeyYBJSNCNIKZAFNM-UHFFFAOYSA-N
XLogP0.94
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(methylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808143
4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid
CID 114462947
methyl 2-[(1-carbamothioylcycloheptyl)sulfamoyl]propanoate
CID 61458579
1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 114808160
propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
CID 114464611
1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide
CID 114808198
1-(3-methylbutylsulfonylamino)cyclohexane-1-carbothioamide
CID 63856598
propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241
1-(sulfamoylamino)cyclopentane-1-carbothioamide
CID 114959145
propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate
CID 114463139
1-(methylsulfonylmethylsulfonylamino)cyclooctane-1-carbothioamide
CID 82842037
propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466827

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate (CID 114463540) is propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NC1(C(N)=S)CCCCC1.
What is the InChIKey of propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate?
The InChIKey is YBJSNCNIKZAFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S2/c1-8(2)18-10(15)13-20(16,17)14-11(9(12)19)6-4-3-5-7-11/h8,14H,3-7H2,1-2H3,(H2,12,19)(H,13,15).
What are the key properties of propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate?
propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate has a molecular weight of 323.44 g/mol, XLogP of 0.94, 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-carbamothioylcyclohexyl)sulfamoyl]carbamate is sourced from PubChem (CID 114463540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).