4-(carbamoylamino)butoxy-dimethoxysulfanium

C7H17N2O4S+ — CID 151159357

IUPAC4-(carbamoylamino)butoxy-dimethoxysulfanium
SMILESCO[S+](OC)OCCCCNC(N)=O
InChIInChI=1S/C7H16N2O4S/c1-11-14(12-2)13-6-4-3-5-9-7(8)10/h3-6H2,1-2H3,(H2-,8,9,10)/p+1
InChIKeyMZXVLXZTIQCALJ-UHFFFAOYSA-O
MW225.29 g/mol
LogP0.11
Rot. Bonds8

About 4-(carbamoylamino)butoxy-dimethoxysulfanium

4-(carbamoylamino)butoxy-dimethoxysulfanium (PubChem CID 151159357) has the molecular formula C7H17N2O4S+ and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(carbamoylamino)butoxy-dimethoxysulfanium.

Molecular Properties

Compound Name4-(carbamoylamino)butoxy-dimethoxysulfanium
PubChem CID151159357
Molecular FormulaC7H17N2O4S+
Molecular Weight225.29 g/mol
Exact Mass225.09
IUPAC Name4-(carbamoylamino)butoxy-dimethoxysulfanium
SMILESCO[S+](OC)OCCCCNC(N)=O
InChIInChI=1S/C7H16N2O4S/c1-11-14(12-2)13-6-4-3-5-9-7(8)10/h3-6H2,1-2H3,(H2-,8,9,10)/p+1
InChIKeyMZXVLXZTIQCALJ-UHFFFAOYSA-O
XLogP0.11
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxypropylurea
CID 2064040
6-trimethoxysilylhexylurea
CID 87148927
(5-amino-5-dimethoxysilylpentyl)urea
CID 175187119
pentylurea;hydrate
CID 172845599
3-[[4-(carbamoylamino)butoxy-dimethoxysilyl]methoxy-dimethoxysilyl]propylurea
CID 166059659
3-butoxypropylurea
CID 115575573
12-hydroxydodecylurea
CID 57265418
5-(carbamoylamino)pentanamide;hydrochloride
CID 175794567
1-[8-(carbamoylamino)octyl]-3-methylurea
CID 129172713
3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea
CID 59079127
3-[2-methoxyethoxy(methyl)silyl]propylurea
CID 123422782
3-(carbamoylamino)propyl trihexyl silicate
CID 175544695

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)butoxy-dimethoxysulfanium?
The IUPAC name of 4-(carbamoylamino)butoxy-dimethoxysulfanium (CID 151159357) is 4-(carbamoylamino)butoxy-dimethoxysulfanium.
What is the SMILES notation for 4-(carbamoylamino)butoxy-dimethoxysulfanium?
The canonical SMILES for 4-(carbamoylamino)butoxy-dimethoxysulfanium is CO[S+](OC)OCCCCNC(N)=O.
What is the InChIKey of 4-(carbamoylamino)butoxy-dimethoxysulfanium?
The InChIKey is MZXVLXZTIQCALJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N2O4S/c1-11-14(12-2)13-6-4-3-5-9-7(8)10/h3-6H2,1-2H3,(H2-,8,9,10)/p+1.
What are the key properties of 4-(carbamoylamino)butoxy-dimethoxysulfanium?
4-(carbamoylamino)butoxy-dimethoxysulfanium has a molecular weight of 225.29 g/mol, XLogP of 0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)butoxy-dimethoxysulfanium is sourced from PubChem (CID 151159357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).