N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide

C11H18BrN3OS — CID 139519265

IUPACN-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide
SMILESCCC(NS(=O)C(C)(C)C)c1ccnc(Br)n1
InChIInChI=1S/C11H18BrN3OS/c1-5-8(15-17(16)11(2,3)4)9-6-7-13-10(12)14-9/h6-8,15H,5H2,1-4H3
InChIKeyKXIMKACQLGPMMD-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.74
Rot. Bonds4

About N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide

N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 139519265) has the molecular formula C11H18BrN3OS and a molecular weight of 320.26 g/mol. Its IUPAC name is N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID139519265
Molecular FormulaC11H18BrN3OS
Molecular Weight320.26 g/mol
Exact Mass319.04
IUPAC NameN-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide
SMILESCCC(NS(=O)C(C)(C)C)c1ccnc(Br)n1
InChIInChI=1S/C11H18BrN3OS/c1-5-8(15-17(16)11(2,3)4)9-6-7-13-10(12)14-9/h6-8,15H,5H2,1-4H3
InChIKeyKXIMKACQLGPMMD-UHFFFAOYSA-N
XLogP2.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 142702173
(S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide
CID 155213946
N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide
CID 118663891
N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide
CID 66727467
(R)-N-[(1S)-1-(furan-2-yl)propyl]-2-methylpropane-2-sulfinamide
CID 135000754
4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide
CID 59278114
(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide
CID 67521466
N-[(1S)-1-(6-bromo-2-pyridinyl)pent-3-ynyl]-2-methylpropane-2-sulfinamide
CID 130227344
N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 118391797
2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine
CID 176738961
(S)-N-[1-(6-bromo-3-pyridinyl)butyl]-2-methylpropane-2-sulfinamide
CID 90939981
ethyl (3S)-3-(2-bromo-4-pyridinyl)-3-(tert-butylsulfinylamino)propanoate
CID 146182897

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide (CID 139519265) is N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide is CCC(NS(=O)C(C)(C)C)c1ccnc(Br)n1.
What is the InChIKey of N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is KXIMKACQLGPMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3OS/c1-5-8(15-17(16)11(2,3)4)9-6-7-13-10(12)14-9/h6-8,15H,5H2,1-4H3.
What are the key properties of N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide?
N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 320.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 139519265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).