4-(dimethylsulfamoylamino)butanethioamide

C6H15N3O2S2 — CID 62667925

IUPAC4-(dimethylsulfamoylamino)butanethioamide
SMILESCN(C)S(=O)(=O)NCCCC(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-9(2)13(10,11)8-5-3-4-6(7)12/h8H,3-5H2,1-2H3,(H2,7,12)
InChIKeyQEYQSZWDTCIWCE-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.55
Rot. Bonds6

About 4-(dimethylsulfamoylamino)butanethioamide

4-(dimethylsulfamoylamino)butanethioamide (PubChem CID 62667925) has the molecular formula C6H15N3O2S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)butanethioamide.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)butanethioamide
PubChem CID62667925
Molecular FormulaC6H15N3O2S2
Molecular Weight225.34 g/mol
Exact Mass225.06
IUPAC Name4-(dimethylsulfamoylamino)butanethioamide
SMILESCN(C)S(=O)(=O)NCCCC(N)=S
InChIInChI=1S/C6H15N3O2S2/c1-9(2)13(10,11)8-5-3-4-6(7)12/h8H,3-5H2,1-2H3,(H2,7,12)
InChIKeyQEYQSZWDTCIWCE-UHFFFAOYSA-N
XLogP-0.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)butanethioamide?
The IUPAC name of 4-(dimethylsulfamoylamino)butanethioamide (CID 62667925) is 4-(dimethylsulfamoylamino)butanethioamide.
What is the SMILES notation for 4-(dimethylsulfamoylamino)butanethioamide?
The canonical SMILES for 4-(dimethylsulfamoylamino)butanethioamide is CN(C)S(=O)(=O)NCCCC(N)=S.
What is the InChIKey of 4-(dimethylsulfamoylamino)butanethioamide?
The InChIKey is QEYQSZWDTCIWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S2/c1-9(2)13(10,11)8-5-3-4-6(7)12/h8H,3-5H2,1-2H3,(H2,7,12).
What are the key properties of 4-(dimethylsulfamoylamino)butanethioamide?
4-(dimethylsulfamoylamino)butanethioamide has a molecular weight of 225.34 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)butanethioamide is sourced from PubChem (CID 62667925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).