[ethyl(pentyl)amino]-sulfinylmethanol

C8H17NO2S — CID 20551752

IUPAC[ethyl(pentyl)amino]-sulfinylmethanol
SMILESCCCCCN(CC)C(O)=S=O
InChIInChI=1S/C8H17NO2S/c1-3-5-6-7-9(4-2)8(10)12-11/h10H,3-7H2,1-2H3
InChIKeyQTGXDJBVVHXWOV-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.36
Rot. Bonds5

About [ethyl(pentyl)amino]-sulfinylmethanol

[ethyl(pentyl)amino]-sulfinylmethanol (PubChem CID 20551752) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is [ethyl(pentyl)amino]-sulfinylmethanol.

Molecular Properties

Compound Name[ethyl(pentyl)amino]-sulfinylmethanol
PubChem CID20551752
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name[ethyl(pentyl)amino]-sulfinylmethanol
SMILESCCCCCN(CC)C(O)=S=O
InChIInChI=1S/C8H17NO2S/c1-3-5-6-7-9(4-2)8(10)12-11/h10H,3-7H2,1-2H3
InChIKeyQTGXDJBVVHXWOV-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexyl(octadecyl)carbamic acid
CID 87702094
N-ethyl-N-hexylcarbamate
CID 53442022
N-ethyl-N-octylbutanamide
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N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
N,N,N',N'-tetrahexyloxamide
CID 6424911
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
3-(dipentylamino)-3-oxopropanoic acid
CID 55049301
N'-ethyl-N'-hexylpropanediamide
CID 174895850
carbonic acid;N,N-dipentylpentan-1-amine
CID 157318586
N-butyl-N-heptylacetamide
CID 91713167

Frequently Asked Questions

What is the IUPAC name of [ethyl(pentyl)amino]-sulfinylmethanol?
The IUPAC name of [ethyl(pentyl)amino]-sulfinylmethanol (CID 20551752) is [ethyl(pentyl)amino]-sulfinylmethanol.
What is the SMILES notation for [ethyl(pentyl)amino]-sulfinylmethanol?
The canonical SMILES for [ethyl(pentyl)amino]-sulfinylmethanol is CCCCCN(CC)C(O)=S=O.
What is the InChIKey of [ethyl(pentyl)amino]-sulfinylmethanol?
The InChIKey is QTGXDJBVVHXWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-5-6-7-9(4-2)8(10)12-11/h10H,3-7H2,1-2H3.
What are the key properties of [ethyl(pentyl)amino]-sulfinylmethanol?
[ethyl(pentyl)amino]-sulfinylmethanol has a molecular weight of 191.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(pentyl)amino]-sulfinylmethanol is sourced from PubChem (CID 20551752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).