1-[ethyl(sulfinato)amino]-4-methylpentane

C8H18NO2S- — CID 57195346

IUPAC1-[ethyl(sulfinato)amino]-4-methylpentane
SMILESCCN(CCCC(C)C)S(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-4-9(12(10)11)7-5-6-8(2)3/h8H,4-7H2,1-3H3,(H,10,11)/p-1
InChIKeyXJALCUAOZRFQAB-UHFFFAOYSA-M
MW192.30 g/mol
LogP1.54
Rot. Bonds6

About 1-[ethyl(sulfinato)amino]-4-methylpentane

1-[ethyl(sulfinato)amino]-4-methylpentane (PubChem CID 57195346) has the molecular formula C8H18NO2S- and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-[ethyl(sulfinato)amino]-4-methylpentane.

Molecular Properties

Compound Name1-[ethyl(sulfinato)amino]-4-methylpentane
PubChem CID57195346
Molecular FormulaC8H18NO2S-
Molecular Weight192.30 g/mol
Exact Mass192.11
IUPAC Name1-[ethyl(sulfinato)amino]-4-methylpentane
SMILESCCN(CCCC(C)C)S(=O)[O-]
InChIInChI=1S/C8H19NO2S/c1-4-9(12(10)11)7-5-6-8(2)3/h8H,4-7H2,1-3H3,(H,10,11)/p-1
InChIKeyXJALCUAOZRFQAB-UHFFFAOYSA-M
XLogP1.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[6-methylheptan-2-yl(sulfinato)amino]heptane
CID 90709848
6-[3,7-dimethyloctan-3-yl(sulfinato)amino]-2,6-dimethyloctane
CID 91802071
10-methylundecane-1-sulfinate
CID 175520808
2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane
CID 118253094
N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine
CID 83169075
N,N,N',N'-tetrakis(4-methylpentyl)methanediamine
CID 135274412
N,N-bis(4-methylpentyl)formamide
CID 23139123
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
CID 139723855
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(sulfinato)amino]-4-methylpentane?
The IUPAC name of 1-[ethyl(sulfinato)amino]-4-methylpentane (CID 57195346) is 1-[ethyl(sulfinato)amino]-4-methylpentane.
What is the SMILES notation for 1-[ethyl(sulfinato)amino]-4-methylpentane?
The canonical SMILES for 1-[ethyl(sulfinato)amino]-4-methylpentane is CCN(CCCC(C)C)S(=O)[O-].
What is the InChIKey of 1-[ethyl(sulfinato)amino]-4-methylpentane?
The InChIKey is XJALCUAOZRFQAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19NO2S/c1-4-9(12(10)11)7-5-6-8(2)3/h8H,4-7H2,1-3H3,(H,10,11)/p-1.
What are the key properties of 1-[ethyl(sulfinato)amino]-4-methylpentane?
1-[ethyl(sulfinato)amino]-4-methylpentane has a molecular weight of 192.30 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(sulfinato)amino]-4-methylpentane is sourced from PubChem (CID 57195346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).