N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine

C10H21BrN2O3S — CID 15914536

IUPACN-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(Br)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H21BrN2O3S/c1-10(2,3)12-8-9(11)17(14,15)13-4-6-16-7-5-13/h9,12H,4-8H2,1-3H3
InChIKeyMVSTUGQBTOCCBN-UHFFFAOYSA-N
MW329.26 g/mol
LogP0.76
Rot. Bonds4

About N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine

N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine (PubChem CID 15914536) has the molecular formula C10H21BrN2O3S and a molecular weight of 329.26 g/mol. Its IUPAC name is N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine
PubChem CID15914536
Molecular FormulaC10H21BrN2O3S
Molecular Weight329.26 g/mol
Exact Mass328.05
IUPAC NameN-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(Br)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H21BrN2O3S/c1-10(2,3)12-8-9(11)17(14,15)13-4-6-16-7-5-13/h9,12H,4-8H2,1-3H3
InChIKeyMVSTUGQBTOCCBN-UHFFFAOYSA-N
XLogP0.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4,4-dimethylpentyl)morpholine-4-sulfonamide
CID 107158136
4-(2-methylsulfanylpropan-2-ylsulfonyl)morpholine
CID 139452580
N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
2-methyl-N-[[4-(oxetan-3-ylsulfonyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424401
N-bromomorpholine-4-sulfonamide
CID 117126249
4-(2-methylpentan-2-ylsulfonyl)morpholine
CID 138601822
4,4-difluoro-3-methyl-5-morpholin-4-ylsulfonylheptane-3-sulfonic acid
CID 89233419
N-[2-methyl-3-(methylamino)propyl]morpholine-4-sulfonamide
CID 115302914
2-methyl-N-(2-morpholin-4-ylsulfonylethyl)propan-1-amine
CID 115876287
N-[(2R)-3,3-dimethyl-2-(methylamino)butyl]-N-methylmorpholine-4-sulfonamide
CID 59024764
2-morpholin-4-ylsulfonylpropane-2-sulfonic acid
CID 126656739
N-(2,2-diethoxyethyl)morpholine-4-sulfonamide
CID 79548082

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine (CID 15914536) is N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine is CC(C)(C)NCC(Br)S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine?
The InChIKey is MVSTUGQBTOCCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2O3S/c1-10(2,3)12-8-9(11)17(14,15)13-4-6-16-7-5-13/h9,12H,4-8H2,1-3H3.
What are the key properties of N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine?
N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine has a molecular weight of 329.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-morpholin-4-ylsulfonylethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 15914536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).