1-(aminosulfanylmethyl)-1,3-diethylurea

C6H15N3OS — CID 87476101

IUPAC1-(aminosulfanylmethyl)-1,3-diethylurea
SMILESCCNC(=O)N(CC)CSN
InChIInChI=1S/C6H15N3OS/c1-3-8-6(10)9(4-2)5-11-7/h3-5,7H2,1-2H3,(H,8,10)
InChIKeyALFPEYCQHWPLOC-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.60
Rot. Bonds4

About 1-(aminosulfanylmethyl)-1,3-diethylurea

1-(aminosulfanylmethyl)-1,3-diethylurea (PubChem CID 87476101) has the molecular formula C6H15N3OS and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-(aminosulfanylmethyl)-1,3-diethylurea.

Molecular Properties

Compound Name1-(aminosulfanylmethyl)-1,3-diethylurea
PubChem CID87476101
Molecular FormulaC6H15N3OS
Molecular Weight177.27 g/mol
Exact Mass177.09
IUPAC Name1-(aminosulfanylmethyl)-1,3-diethylurea
SMILESCCNC(=O)N(CC)CSN
InChIInChI=1S/C6H15N3OS/c1-3-8-6(10)9(4-2)5-11-7/h3-5,7H2,1-2H3,(H,8,10)
InChIKeyALFPEYCQHWPLOC-UHFFFAOYSA-N
XLogP0.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(diethylcarbamoylamino)-N-ethylacetamide
CID 115583198
3-ethyl-1,1-bis(2-methoxyethyl)urea
CID 108890462
1,3-diethyl-1-methylurea;molecular hydrogen
CID 142235492
2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 115585828
ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178
bis(ethylcarbamoyl)carbamic acid
CID 175128222
3-ethyl-1,1-dimethylurea;molecular hydrogen
CID 144978346
N,N-diethyl-2-[[ethylamino(hydrazinyl)methylidene]amino]acetamide
CID 104888425
1,3-diethyl-1-(4-phenylbutyl)urea
CID 138979891
3-(3-amino-2-methylpropyl)-1,1-diethylurea
CID 79154789
1,1-diethyl-3-[(2R)-2-hydroxypropyl]urea
CID 83030843
1,3-diethyl-1-(piperidin-2-ylmethyl)urea
CID 106629771

Frequently Asked Questions

What is the IUPAC name of 1-(aminosulfanylmethyl)-1,3-diethylurea?
The IUPAC name of 1-(aminosulfanylmethyl)-1,3-diethylurea (CID 87476101) is 1-(aminosulfanylmethyl)-1,3-diethylurea.
What is the SMILES notation for 1-(aminosulfanylmethyl)-1,3-diethylurea?
The canonical SMILES for 1-(aminosulfanylmethyl)-1,3-diethylurea is CCNC(=O)N(CC)CSN.
What is the InChIKey of 1-(aminosulfanylmethyl)-1,3-diethylurea?
The InChIKey is ALFPEYCQHWPLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3OS/c1-3-8-6(10)9(4-2)5-11-7/h3-5,7H2,1-2H3,(H,8,10).
What are the key properties of 1-(aminosulfanylmethyl)-1,3-diethylurea?
1-(aminosulfanylmethyl)-1,3-diethylurea has a molecular weight of 177.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminosulfanylmethyl)-1,3-diethylurea is sourced from PubChem (CID 87476101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).