N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine

C11H23NO2S — CID 97053070

IUPACN-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNC[C@H]1CCCS1(=O)=O
InChIInChI=1S/C11H23NO2S/c1-3-10(4-2)8-12-9-11-6-5-7-15(11,13)14/h10-12H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyMQEBRXRBSGFJKM-LLVKDONJSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds6

About N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine

N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine (PubChem CID 97053070) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine
PubChem CID97053070
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNC[C@H]1CCCS1(=O)=O
InChIInChI=1S/C11H23NO2S/c1-3-10(4-2)8-12-9-11-6-5-7-15(11,13)14/h10-12H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyMQEBRXRBSGFJKM-LLVKDONJSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,1-dioxothiolan-2-yl)methyl]ethanamine
CID 81039627
N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-diethylbutan-1-amine
CID 75453132
N-[(1,1-dioxothiolan-2-yl)methyl]pentan-1-amine
CID 81039195
3-[(1,1-dioxothiolan-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 81039496
N-[(1,1-dioxothian-2-yl)methyl]propan-1-amine
CID 104519114
N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
CID 81040634
N-[(1,1-dioxothiolan-2-yl)methyl]-2-propoxyethanamine
CID 106452257
N-[(1,1-dioxothiolan-2-yl)methyl]prop-2-en-1-amine
CID 81039342
2-[(1,1-dioxothiolan-2-yl)methylamino]-N-ethyl-N-methylacetamide
CID 81038902
(2S)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]butanamide
CID 81039235
N-[(1,1-dioxothiolan-2-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562120
N-(cyclopentylmethyl)-2-ethylbutan-1-amine
CID 43317342

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine?
The IUPAC name of N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine (CID 97053070) is N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine.
What is the SMILES notation for N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine?
The canonical SMILES for N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine is CCC(CC)CNC[C@H]1CCCS1(=O)=O.
What is the InChIKey of N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine?
The InChIKey is MQEBRXRBSGFJKM-LLVKDONJSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-10(4-2)8-12-9-11-6-5-7-15(11,13)14/h10-12H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine?
N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 97053070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).