2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide

C11H22N2OS — CID 107750203

IUPAC2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCSC1CCOC1C
InChIInChI=1S/C11H22N2OS/c1-8-9(4-6-14-8)15-7-5-11(2,3)10(12)13/h8-9H,4-7H2,1-3H3,(H3,12,13)
InChIKeyQVMDTLWRITXBLM-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.25
Rot. Bonds5

About 2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide

2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide (PubChem CID 107750203) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide
PubChem CID107750203
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCSC1CCOC1C
InChIInChI=1S/C11H22N2OS/c1-8-9(4-6-14-8)15-7-5-11(2,3)10(12)13/h8-9H,4-7H2,1-3H3,(H3,12,13)
InChIKeyQVMDTLWRITXBLM-UHFFFAOYSA-N
XLogP2.25
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide
CID 107755324
2-amino-2-methyl-4-(2-methyloxolan-3-yl)sulfanylbutanamide
CID 107755170
2-(2-methyloxolan-3-yl)sulfanylethanol
CID 103847375
2-methyl-6-(2-methyloxolan-3-yl)sulfanyl-2-(propan-2-ylamino)hexanamide
CID 107755159
3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
CID 107760881
3-(2-methyloxolan-3-yl)sulfanylpropan-1-amine
CID 58684021
ethyl 2-methyl-2-(methylamino)-6-(2-methyloxolan-3-yl)sulfanylhexanoate
CID 107755296
3-(2-chloroethylsulfanyl)-2-methyloxolane
CID 107746824
4-(2-methyloxolan-3-yl)sulfanylbutan-1-ol
CID 107751769
2-(cyclopropylamino)-2-methyl-3-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107755232
2-(2-methyloxolan-3-yl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 107756876
3-(5-bromopentylsulfanyl)-2-methyloxolane
CID 107746808

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide?
The IUPAC name of 2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide (CID 107750203) is 2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide?
The canonical SMILES for 2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide is [H]/N=C(\N)C(C)(C)CCSC1CCOC1C.
What is the InChIKey of 2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide?
The InChIKey is QVMDTLWRITXBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-8-9(4-6-14-8)15-7-5-11(2,3)10(12)13/h8-9H,4-7H2,1-3H3,(H3,12,13).
What are the key properties of 2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide?
2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide has a molecular weight of 230.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methyloxolan-3-yl)sulfanylbutanimidamide is sourced from PubChem (CID 107750203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).