ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate

C8H17N3O4S2 — CID 114463701

IUPACethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCC(C)(C)C(N)=S
InChIInChI=1S/C8H17N3O4S2/c1-4-15-7(12)11-17(13,14)10-5-8(2,3)6(9)16/h10H,4-5H2,1-3H3,(H2,9,16)(H,11,12)
InChIKeyJABZLJWTSRWYPF-UHFFFAOYSA-N
MW283.38 g/mol
LogP-0.12
Rot. Bonds6

About ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate

ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate (PubChem CID 114463701) has the molecular formula C8H17N3O4S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate
PubChem CID114463701
Molecular FormulaC8H17N3O4S2
Molecular Weight283.38 g/mol
Exact Mass283.07
IUPAC Nameethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCC(C)(C)C(N)=S
InChIInChI=1S/C8H17N3O4S2/c1-4-15-7(12)11-17(13,14)10-5-8(2,3)6(9)16/h10H,4-5H2,1-3H3,(H2,9,16)(H,11,12)
InChIKeyJABZLJWTSRWYPF-UHFFFAOYSA-N
XLogP-0.12
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-0.12
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

ethyl N-[(4-chloro-2,2-dimethylbutyl)sulfamoyl]carbamate
CID 106146110
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ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate
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CID 114464062
ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate
CID 106286779
methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615
ethyl N-(6-bromohexylsulfamoyl)carbamate
CID 107848893
ethyl N-(5-chloropentylsulfamoyl)carbamate
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ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate
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ethyl N-(3-aminopentylsulfamoyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate (CID 114463701) is ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NCC(C)(C)C(N)=S.
What is the InChIKey of ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate?
The InChIKey is JABZLJWTSRWYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S2/c1-4-15-7(12)11-17(13,14)10-5-8(2,3)6(9)16/h10H,4-5H2,1-3H3,(H2,9,16)(H,11,12).
What are the key properties of ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate?
ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate has a molecular weight of 283.38 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)sulfamoyl]carbamate is sourced from PubChem (CID 114463701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).