N,N-diethylthiolane-2-carboximidamide

C9H18N2S — CID 80636559

IUPACN,N-diethylthiolane-2-carboximidamide
SMILES[H]/N=C(/C1CCCS1)N(CC)CC
InChIInChI=1S/C9H18N2S/c1-3-11(4-2)9(10)8-6-5-7-12-8/h8,10H,3-7H2,1-2H3/b10-9-
InChIKeySZQOZRLRCHZSLK-KTKRTIGZSA-N
MW186.32 g/mol
LogP2.20
Rot. Bonds3

About N,N-diethylthiolane-2-carboximidamide

N,N-diethylthiolane-2-carboximidamide (PubChem CID 80636559) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N,N-diethylthiolane-2-carboximidamide.

Molecular Properties

Compound NameN,N-diethylthiolane-2-carboximidamide
PubChem CID80636559
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN,N-diethylthiolane-2-carboximidamide
SMILES[H]/N=C(/C1CCCS1)N(CC)CC
InChIInChI=1S/C9H18N2S/c1-3-11(4-2)9(10)8-6-5-7-12-8/h8,10H,3-7H2,1-2H3/b10-9-
InChIKeySZQOZRLRCHZSLK-KTKRTIGZSA-N
XLogP2.20
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N,N-diethylthiolane-2-carboxamide
CID 64592668
N,N-diethyloxane-3-carboximidamide
CID 65333838
N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide
CID 79668560
N,N-diethyloxolane-3-carboximidamide
CID 65329829
N-methyl-N-(2-methylbutan-2-yl)cyclopentanecarboximidamide
CID 63962537
(2S)-2-prop-1-en-2-ylthiolane
CID 643413
N-cyclopentyl-N-ethylcyclohexanecarboximidamide
CID 63175660
3-methyl-1-(thiolan-2-yl)but-3-en-1-one
CID 80621713
N-(1-hydroxypropan-2-yl)-N-methylthiolane-2-carboxamide
CID 115765107
3-ethyl-1-(thiolan-2-yl)pentan-1-one
CID 82920307
1-(thiolan-2-yl)dodecan-1-one
CID 65427493
1-(thiolan-2-yl)heptan-1-one
CID 80621940

Frequently Asked Questions

What is the IUPAC name of N,N-diethylthiolane-2-carboximidamide?
The IUPAC name of N,N-diethylthiolane-2-carboximidamide (CID 80636559) is N,N-diethylthiolane-2-carboximidamide.
What is the SMILES notation for N,N-diethylthiolane-2-carboximidamide?
The canonical SMILES for N,N-diethylthiolane-2-carboximidamide is [H]/N=C(/C1CCCS1)N(CC)CC.
What is the InChIKey of N,N-diethylthiolane-2-carboximidamide?
The InChIKey is SZQOZRLRCHZSLK-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-11(4-2)9(10)8-6-5-7-12-8/h8,10H,3-7H2,1-2H3/b10-9-.
What are the key properties of N,N-diethylthiolane-2-carboximidamide?
N,N-diethylthiolane-2-carboximidamide has a molecular weight of 186.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylthiolane-2-carboximidamide is sourced from PubChem (CID 80636559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).