2-methyl-2-(sulfinoamino)pentane

C6H15NO2S — CID 57150465

IUPAC2-methyl-2-(sulfinoamino)pentane
SMILESCCCC(C)(C)NS(=O)O
InChIInChI=1S/C6H15NO2S/c1-4-5-6(2,3)7-10(8)9/h7H,4-5H2,1-3H3,(H,8,9)
InChIKeyIPXBJRNTHNCSGZ-UHFFFAOYSA-N
MW165.26 g/mol
LogP1.29
Rot. Bonds4

About 2-methyl-2-(sulfinoamino)pentane

2-methyl-2-(sulfinoamino)pentane (PubChem CID 57150465) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-methyl-2-(sulfinoamino)pentane.

Molecular Properties

Compound Name2-methyl-2-(sulfinoamino)pentane
PubChem CID57150465
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name2-methyl-2-(sulfinoamino)pentane
SMILESCCCC(C)(C)NS(=O)O
InChIInChI=1S/C6H15NO2S/c1-4-5-6(2,3)7-10(8)9/h7H,4-5H2,1-3H3,(H,8,9)
InChIKeyIPXBJRNTHNCSGZ-UHFFFAOYSA-N
XLogP1.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-(sulfinoamino)propane
CID 17939962
2-Methylbutan-2-ylsulfamic acid
CID 20323420
2-Methyl-2-(sulfinatoamino)pentane
CID 57150464
2-Methylhexan-2-ylsulfamic acid
CID 87283233
2,4,4-Trimethylpentan-2-ylsulfamic acid
CID 87283427
2-Methylpentan-2-ylsulfamic acid
CID 87283479
N-hydroxysulfanyl-2-methylpentan-2-amine
CID 89110484
3-Methylpentan-3-ylsulfamic acid
CID 89378864
3-Methylhexan-3-ylsulfamic acid
CID 89378988
2-Methylpentan-2-amine;sulfuric acid
CID 174200327
(1-Methylcyclobutyl)sulfamic acid
CID 175699269
2,2,4-Trimethyl-4-(sulfinoamino)pentane
CID 19988470

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(sulfinoamino)pentane?
The IUPAC name of 2-methyl-2-(sulfinoamino)pentane (CID 57150465) is 2-methyl-2-(sulfinoamino)pentane.
What is the SMILES notation for 2-methyl-2-(sulfinoamino)pentane?
The canonical SMILES for 2-methyl-2-(sulfinoamino)pentane is CCCC(C)(C)NS(=O)O.
What is the InChIKey of 2-methyl-2-(sulfinoamino)pentane?
The InChIKey is IPXBJRNTHNCSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-4-5-6(2,3)7-10(8)9/h7H,4-5H2,1-3H3,(H,8,9).
What are the key properties of 2-methyl-2-(sulfinoamino)pentane?
2-methyl-2-(sulfinoamino)pentane has a molecular weight of 165.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(sulfinoamino)pentane is sourced from PubChem (CID 57150465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).