2-(4-methylsulfanylbutylamino)ethylurea

C8H19N3OS — CID 103088336

IUPAC2-(4-methylsulfanylbutylamino)ethylurea
SMILESCSCCCCNCCNC(N)=O
InChIInChI=1S/C8H19N3OS/c1-13-7-3-2-4-10-5-6-11-8(9)12/h10H,2-7H2,1H3,(H3,9,11,12)
InChIKeyLCQGGLIKMWCQSA-UHFFFAOYSA-N
MW205.33 g/mol
LogP0.39
Rot. Bonds8

About 2-(4-methylsulfanylbutylamino)ethylurea

2-(4-methylsulfanylbutylamino)ethylurea (PubChem CID 103088336) has the molecular formula C8H19N3OS and a molecular weight of 205.33 g/mol. Its IUPAC name is 2-(4-methylsulfanylbutylamino)ethylurea.

Molecular Properties

Compound Name2-(4-methylsulfanylbutylamino)ethylurea
PubChem CID103088336
Molecular FormulaC8H19N3OS
Molecular Weight205.33 g/mol
Exact Mass205.12
IUPAC Name2-(4-methylsulfanylbutylamino)ethylurea
SMILESCSCCCCNCCNC(N)=O
InChIInChI=1S/C8H19N3OS/c1-13-7-3-2-4-10-5-6-11-8(9)12/h10H,2-7H2,1H3,(H3,9,11,12)
InChIKeyLCQGGLIKMWCQSA-UHFFFAOYSA-N
XLogP0.39
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-hydroxyhexylamino)ethylurea
CID 107703572
2-[2-(2-aminoethylamino)ethylamino]ethylurea
CID 175595434
ethane;1-(2-methyl-3-oxobutan-2-yl)-3-[2-(5-methylsulfanylpentylamino)ethyl]urea
CID 142314195
2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide
CID 106275046
2-(3,3-dimethylbutylamino)ethylurea
CID 83109796
N-(4-methylsulfanylbutyl)acetamide
CID 115635829
5-(3-methylsulfanylpropylamino)pentanoic acid
CID 103251996
ethyl 6-(5-methylsulfanylpentylamino)hexanoate
CID 114127320
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
tert-butyl N-[3-(5-methylsulfanylpentylamino)propyl]carbamate
CID 107095523
3-(4-methylsulfanylbutylamino)propane-1-sulfonamide
CID 103087965
N-(4-methylsulfanylbutyl)decan-1-amine
CID 113487512

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylbutylamino)ethylurea?
The IUPAC name of 2-(4-methylsulfanylbutylamino)ethylurea (CID 103088336) is 2-(4-methylsulfanylbutylamino)ethylurea.
What is the SMILES notation for 2-(4-methylsulfanylbutylamino)ethylurea?
The canonical SMILES for 2-(4-methylsulfanylbutylamino)ethylurea is CSCCCCNCCNC(N)=O.
What is the InChIKey of 2-(4-methylsulfanylbutylamino)ethylurea?
The InChIKey is LCQGGLIKMWCQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3OS/c1-13-7-3-2-4-10-5-6-11-8(9)12/h10H,2-7H2,1H3,(H3,9,11,12).
What are the key properties of 2-(4-methylsulfanylbutylamino)ethylurea?
2-(4-methylsulfanylbutylamino)ethylurea has a molecular weight of 205.33 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylbutylamino)ethylurea is sourced from PubChem (CID 103088336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).