butylaminosulfanylurea

C5H13N3OS — CID 174849545

IUPACbutylaminosulfanylurea
SMILESCCCCNSNC(N)=O
InChIInChI=1S/C5H13N3OS/c1-2-3-4-7-10-8-5(6)9/h7H,2-4H2,1H3,(H3,6,8,9)
InChIKeyCHOBTDBRJBUDOL-UHFFFAOYSA-N
MW163.25 g/mol
LogP0.61
Rot. Bonds5

About butylaminosulfanylurea

butylaminosulfanylurea (PubChem CID 174849545) has the molecular formula C5H13N3OS and a molecular weight of 163.25 g/mol. Its IUPAC name is butylaminosulfanylurea.

Molecular Properties

Compound Namebutylaminosulfanylurea
PubChem CID174849545
Molecular FormulaC5H13N3OS
Molecular Weight163.25 g/mol
Exact Mass163.08
IUPAC Namebutylaminosulfanylurea
SMILESCCCCNSNC(N)=O
InChIInChI=1S/C5H13N3OS/c1-2-3-4-7-10-8-5(6)9/h7H,2-4H2,1H3,(H3,6,8,9)
InChIKeyCHOBTDBRJBUDOL-UHFFFAOYSA-N
XLogP0.61
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetamide;N-butylbutan-1-amine
CID 172792447
butylurea;silicic acid
CID 86735760
pentadecan-4-ylsulfanylurea
CID 175319931
2-(propylamino)nonanamide
CID 60796532
2-(propylamino)octanamide
CID 60795649
2-(butylamino)butanamide
CID 62901736
bis(butylamino) propanedioate
CID 175326420
pentylurea;hydrate
CID 172845599
N-butyl-2-(carbamoylamino)acetamide;propane
CID 142017204
N-butylbutan-1-amine;1,1-diaminourea
CID 174864896
(1-butylcyclopentyl)sulfanylurea
CID 174685143
N-carbamoyl-2-ethylheptanamide
CID 3032098

Frequently Asked Questions

What is the IUPAC name of butylaminosulfanylurea?
The IUPAC name of butylaminosulfanylurea (CID 174849545) is butylaminosulfanylurea.
What is the SMILES notation for butylaminosulfanylurea?
The canonical SMILES for butylaminosulfanylurea is CCCCNSNC(N)=O.
What is the InChIKey of butylaminosulfanylurea?
The InChIKey is CHOBTDBRJBUDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3OS/c1-2-3-4-7-10-8-5(6)9/h7H,2-4H2,1H3,(H3,6,8,9).
What are the key properties of butylaminosulfanylurea?
butylaminosulfanylurea has a molecular weight of 163.25 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butylaminosulfanylurea is sourced from PubChem (CID 174849545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).