N-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine

C10H20BrNO2S — CID 65000232

IUPACN-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC(C)(C)CBr)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20BrNO2S/c1-10(2,7-11)8-12(3)9-4-5-15(13,14)6-9/h9H,4-8H2,1-3H3
InChIKeyIVMAXMFRUOSRNW-UHFFFAOYSA-N
MW298.25 g/mol
LogP1.53
Rot. Bonds4

About N-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine

N-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 65000232) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID65000232
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC(C)(C)CBr)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H20BrNO2S/c1-10(2,7-11)8-12(3)9-4-5-15(13,14)6-9/h9H,4-8H2,1-3H3
InChIKeyIVMAXMFRUOSRNW-UHFFFAOYSA-N
XLogP1.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Diethylamino)-1-hydroxythiolan-1-one
CID 2835678
N-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
CID 57618317
N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine
CID 59656303
(3S)-N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine
CID 59691472
(3R)-N-tert-butyl-N-methyl-1,1-dioxothiolan-3-amine
CID 59691485
N-methyl-1,1-dioxo-N-propylthiolan-3-amine
CID 69087947
N-methyl-N-(2-methylpropyl)-1,1-dioxothiolan-3-amine
CID 75786813
N-ethyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
CID 90064524
2-(3-bromopropylsulfonyl)-N,N-diethylethanamine
CID 458568
(1,1-Dioxothiolan-3-yl)-diethyl-methylazanium
CID 4060013
(3R)-N,N-diethyl-1,1-dioxothiolan-3-amine
CID 7058954
(3S)-N,N-diethyl-1,1-dioxothiolan-3-amine
CID 7058956

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine (CID 65000232) is N-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine is CN(CC(C)(C)CBr)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is IVMAXMFRUOSRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-10(2,7-11)8-12(3)9-4-5-15(13,14)6-9/h9H,4-8H2,1-3H3.
What are the key properties of N-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine?
N-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 298.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 65000232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).