ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane

C6H15NOS — CID 125455135

IUPACethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
SMILES[H]N=[S@@](=O)(CC)CC(C)C
InChIInChI=1S/C6H15NOS/c1-4-9(7,8)5-6(2)3/h6-7H,4-5H2,1-3H3/t9-/m1/s1
InChIKeyAPBWEDMAYMRTLG-SECBINFHSA-N
MW149.26 g/mol
LogP1.71
Rot. Bonds3

About ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane

ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane (PubChem CID 125455135) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Nameethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
PubChem CID125455135
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Nameethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
SMILES[H]N=[S@@](=O)(CC)CC(C)C
InChIInChI=1S/C6H15NOS/c1-4-9(7,8)5-6(2)3/h6-7H,4-5H2,1-3H3/t9-/m1/s1
InChIKeyAPBWEDMAYMRTLG-SECBINFHSA-N
XLogP1.71
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpropane-1-sulfonamide
CID 10197726
imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane
CID 125455805
3-ethyl-3-(2-methylpropylsulfonyl)pentane
CID 58814812
cyclopentyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
CID 125456534
methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane
CID 147389699
azane;2-methyl-1-methylsulfonylpropane;hydrochloride
CID 87536413
1-(aminosulfonimidoyl)-2-methylbutane
CID 154660444
4-(2-methylpropylsulfonyl)heptane
CID 142872374
ethyl-hydroxy-methyl-(2-methylpropyl)-λ4-sulfane
CID 58695816
[(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane
CID 125456687
methanamine;2-methylpropane-1-sulfonic acid
CID 172748561
1-(diiodomethylsulfonyl)-2-methylpropane
CID 21439589

Frequently Asked Questions

What is the IUPAC name of ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane?
The IUPAC name of ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane (CID 125455135) is ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane.
What is the SMILES notation for ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane?
The canonical SMILES for ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane is [H]N=[S@@](=O)(CC)CC(C)C.
What is the InChIKey of ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane?
The InChIKey is APBWEDMAYMRTLG-SECBINFHSA-N. The full InChI is InChI=1S/C6H15NOS/c1-4-9(7,8)5-6(2)3/h6-7H,4-5H2,1-3H3/t9-/m1/s1.
What are the key properties of ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane?
ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane has a molecular weight of 149.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane is sourced from PubChem (CID 125455135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).